 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer01_STD_M11_augccpVDZ.in
 Output=12_L-valine_conformer01_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-19834.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     19840.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer01_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:58:09 2021, MaxMem=  5368709120 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer01_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.402321000000     -0.324803000000     -0.691175000000
  C                                                 1.066507000000     -0.567672000000      0.007328000000
  C                                                -0.024429000000      0.362752000000     -0.585977000000
  C                                                -1.397283000000     -0.077948000000     -0.093492000000
  O                                                -1.783162000000     -1.252166000000     -0.644037000000
  C                                                 1.193771000000     -0.401333000000      1.521948000000
  N                                                 0.250162000000      1.761590000000     -0.305646000000
  O                                                -2.076243000000      0.515013000000      0.704731000000
  H                                                -0.013738000000      0.217520000000     -1.668707000000
  H                                                 0.746938000000     -1.591919000000     -0.201878000000
  H                                                -2.645686000000     -1.478069000000     -0.261271000000
  H                                                -0.282255000000      2.356926000000     -0.927888000000
  H                                                -0.057810000000      1.989245000000      0.633366000000
  H                                                 1.549661000000      0.599343000000      1.774413000000
  H                                                 0.244241000000     -0.564166000000      2.035583000000
  H                                                 1.915182000000     -1.116450000000      1.920072000000
  H                                                 2.328990000000     -0.520041000000     -1.763324000000
  H                                                 2.720648000000      0.708970000000     -0.556172000000
  H                                                 3.172613000000     -0.981246000000     -0.282025000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:58:09 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.402321   -0.324803   -0.691175
      2          6           0        1.066507   -0.567672    0.007328
      3          6           0       -0.024429    0.362752   -0.585977
      4          6           0       -1.397283   -0.077948   -0.093492
      5          8           0       -1.783162   -1.252166   -0.644037
      6          6           0        1.193771   -0.401333    1.521948
      7          7           0        0.250162    1.761590   -0.305646
      8          8           0       -2.076243    0.515013    0.704731
      9          1           0       -0.013738    0.217520   -1.668707
     10          1           0        0.746938   -1.591919   -0.201878
     11          1           0       -2.645686   -1.478069   -0.261271
     12          1           0       -0.282255    2.356926   -0.927888
     13          1           0       -0.057810    1.989245    0.633366
     14          1           0        1.549661    0.599343    1.774413
     15          1           0        0.244241   -0.564166    2.035583
     16          1           0        1.915182   -1.116450    1.920072
     17          1           0        2.328990   -0.520041   -1.763324
     18          1           0        2.720648    0.708970   -0.556172
     19          1           0        3.172613   -0.981246   -0.282025
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526857   0.000000
     3  C    2.524463   1.551722   0.000000
     4  C    3.854238   2.514012   1.523642   0.000000
     5  O    4.287248   3.002236   2.388404   1.353067   0.000000
     6  C    2.522769   1.529032   2.551702   3.070470   3.778563
     7  N    3.022161   2.487938   1.452836   2.478504   3.651252
     8  O    4.765646   3.396389   2.428796   1.204055   2.242319
     9  H    2.662147   2.143023   1.092479   2.117262   2.518092
    10  H    2.141328   1.093148   2.136183   2.627078   2.590819
    11  H    5.195884   3.831624   3.219479   1.883348   0.970304
    12  H    3.801927   3.353664   2.039634   2.805016   3.919035
    13  H    3.627874   2.862488   2.033074   2.568228   3.887846
    14  H    2.767706   2.172085   2.846959   3.554191   4.514941
    15  H    3.485658   2.188596   2.793553   2.732027   3.429879
    16  H    2.771754   2.163330   3.497200   4.013147   4.502313
    17  H    1.092245   2.175164   2.775617   4.107176   4.324188
    18  H    1.090066   2.164146   2.766984   4.217899   4.913052
    19  H    1.091637   2.165745   3.481350   4.662128   4.976360
                    6          7          8          9         10
     6  C    0.000000
     7  N    2.984750   0.000000
     8  O    3.492925   2.826124   0.000000
     9  H    3.467180   2.076471   3.158423   0.000000
    10  H    2.142132   3.391692   3.637506   2.450364   0.000000
    11  H    4.368142   4.345491   2.286876   3.432645   3.395053
    12  H    3.973455   1.012461   3.045732   2.279906   4.144841
    13  H    2.840932   1.014109   2.500505   2.905252   3.764304
    14  H    1.091672   2.714067   3.781337   3.800668   3.058058
    15  H    1.091761   3.300080   2.884517   3.794648   2.513009
    16  H    1.091022   4.001153   4.479978   4.287137   2.468509
    17  H    3.477905   3.413531   5.154484   2.457910   2.467777
    18  H    2.807616   2.697049   4.963634   2.992678   3.052072
    19  H    2.739787   4.008045   5.546437   3.675971   2.502647
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.553830   0.000000
    13  H    4.418115   1.619592   0.000000
    14  H    5.104957   3.707755   2.412007   0.000000
    15  H    3.802951   4.194298   2.928712   1.768074   0.000000
    16  H    5.068584   5.000395   3.897903   1.760332   1.763634
    17  H    5.284069   3.974103   4.211586   3.791564   4.333569
    18  H    5.802383   3.445484   3.282367   2.610528   3.804032
    19  H    5.839509   4.847334   4.483011   3.059603   3.757742
                   16         17         18         19
    16  H    0.000000
    17  H    3.754244   0.000000
    18  H    3.180050   1.766658   0.000000
    19  H    2.539418   1.765972   1.770949   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.40D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.402321   -0.324803   -0.691175
      2          6           0        1.066507   -0.567672    0.007328
      3          6           0       -0.024429    0.362752   -0.585977
      4          6           0       -1.397283   -0.077948   -0.093492
      5          8           0       -1.783162   -1.252166   -0.644037
      6          6           0        1.193771   -0.401333    1.521948
      7          7           0        0.250162    1.761590   -0.305646
      8          8           0       -2.076243    0.515013    0.704731
      9          1           0       -0.013738    0.217520   -1.668707
     10          1           0        0.746938   -1.591919   -0.201878
     11          1           0       -2.645686   -1.478069   -0.261271
     12          1           0       -0.282255    2.356926   -0.927888
     13          1           0       -0.057810    1.989245    0.633366
     14          1           0        1.549661    0.599343    1.774413
     15          1           0        0.244241   -0.564166    2.035583
     16          1           0        1.915182   -1.116450    1.920072
     17          1           0        2.328990   -0.520041   -1.763324
     18          1           0        2.720648    0.708970   -0.556172
     19          1           0        3.172613   -0.981246   -0.282025
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.9389248           1.4333902           1.3298945
 Leave Link  202 at Thu Aug 12 20:58:09 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.8503088607 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 20:58:12 2021, MaxMem=  5368709120 cpu:              17.2 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  6.79D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 20:58:13 2021, MaxMem=  5368709120 cpu:               3.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:58:13 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer01_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:58:14 2021, MaxMem=  5368709120 cpu:               3.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368524961 LenY=  5368435119
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.210691209921    
 DIIS: error= 2.64D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.210691209921     IErMin= 1 ErrMin= 2.64D-03
 ErrMax= 2.64D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-02 BMatP= 1.26D-02
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.64D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 GapD=    0.448 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.62D-02 MaxDP=1.67D+00              OVMax= 2.04D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.58D-02    CP:  1.14D+00
 E= -402.222517189250     Delta-E=       -0.011825979330 Rises=F Damp=F
 DIIS: error= 7.80D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.222517189250     IErMin= 2 ErrMin= 7.80D-04
 ErrMax= 7.80D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.19D-04 BMatP= 1.26D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.80D-03
 Coeff-Com:  0.620D-03 0.999D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.615D-03 0.999D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=3.11D-03 MaxDP=3.55D-01 DE=-1.18D-02 OVMax= 8.46D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.25D-03    CP:  1.18D+00  1.17D+00
 E= -402.222853542067     Delta-E=       -0.000336352817 Rises=F Damp=F
 DIIS: error= 7.32D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -402.222853542067     IErMin= 3 ErrMin= 7.32D-04
 ErrMax= 7.32D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.55D-04 BMatP= 6.19D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.32D-03
 Coeff-Com: -0.505D-01 0.507D+00 0.544D+00
 Coeff-En:   0.000D+00 0.211D+00 0.789D+00
 Coeff:     -0.501D-01 0.505D+00 0.545D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=3.94D-04 MaxDP=4.21D-02 DE=-3.36D-04 OVMax= 3.84D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.55D-04    CP:  1.18D+00  1.19D+00  1.11D+00
 E= -402.223221836174     Delta-E=       -0.000368294107 Rises=F Damp=F
 DIIS: error= 1.15D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.223221836174     IErMin= 4 ErrMin= 1.15D-04
 ErrMax= 1.15D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-05 BMatP= 5.55D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.15D-03
 Coeff-Com: -0.103D-01 0.371D-01 0.111D+00 0.862D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.102D-01 0.370D-01 0.111D+00 0.863D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=1.11D-04 MaxDP=4.85D-03 DE=-3.68D-04 OVMax= 1.42D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.28D-05    CP:  1.18D+00  1.20D+00  1.15D+00  1.12D+00
 E= -402.223233940125     Delta-E=       -0.000012103951 Rises=F Damp=F
 DIIS: error= 7.80D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.223233940125     IErMin= 5 ErrMin= 7.80D-05
 ErrMax= 7.80D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.28D-06 BMatP= 1.19D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.302D-02-0.622D-01-0.373D-01 0.438D+00 0.659D+00
 Coeff:      0.302D-02-0.622D-01-0.373D-01 0.438D+00 0.659D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=4.20D-05 MaxDP=2.86D-03 DE=-1.21D-05 OVMax= 6.38D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.75D-05    CP:  1.18D+00  1.19D+00  1.15D+00  1.20D+00  1.31D+00
 E= -402.223238637539     Delta-E=       -0.000004697415 Rises=F Damp=F
 DIIS: error= 1.84D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.223238637539     IErMin= 6 ErrMin= 1.84D-05
 ErrMax= 1.84D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.84D-07 BMatP= 5.28D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.241D-02-0.290D-01-0.292D-01 0.796D-01 0.258D+00 0.719D+00
 Coeff:      0.241D-02-0.290D-01-0.292D-01 0.796D-01 0.258D+00 0.719D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.53D-05 MaxDP=1.71D-03 DE=-4.70D-06 OVMax= 2.79D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.61D-06    CP:  1.18D+00  1.19D+00  1.15D+00  1.21D+00  1.40D+00
                    CP:  1.25D+00
 E= -402.223239058961     Delta-E=       -0.000000421422 Rises=F Damp=F
 DIIS: error= 4.76D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.223239058961     IErMin= 7 ErrMin= 4.76D-06
 ErrMax= 4.76D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.63D-08 BMatP= 3.84D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.507D-04 0.318D-02-0.470D-03-0.470D-01-0.383D-01 0.142D+00
 Coeff-Com:  0.941D+00
 Coeff:      0.507D-04 0.318D-02-0.470D-03-0.470D-01-0.383D-01 0.142D+00
 Coeff:      0.941D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=8.98D-06 MaxDP=1.13D-03 DE=-4.21D-07 OVMax= 1.59D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.69D-06    CP:  1.18D+00  1.19D+00  1.15D+00  1.21D+00  1.43D+00
                    CP:  1.30D+00  1.34D+00
 E= -402.223239116561     Delta-E=       -0.000000057600 Rises=F Damp=F
 DIIS: error= 1.37D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.223239116561     IErMin= 8 ErrMin= 1.37D-06
 ErrMax= 1.37D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.18D-09 BMatP= 2.63D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.180D-03 0.281D-02 0.244D-02-0.152D-01-0.268D-01-0.440D-01
 Coeff-Com:  0.142D+00 0.939D+00
 Coeff:     -0.180D-03 0.281D-02 0.244D-02-0.152D-01-0.268D-01-0.440D-01
 Coeff:      0.142D+00 0.939D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.29D-06 MaxDP=1.85D-04 DE=-5.76D-08 OVMax= 5.55D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.79D-07    CP:  1.18D+00  1.19D+00  1.15D+00  1.21D+00  1.43D+00
                    CP:  1.32D+00  1.49D+00  1.26D+00
 E= -402.223239121992     Delta-E=       -0.000000005431 Rises=F Damp=F
 DIIS: error= 5.17D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.223239121992     IErMin= 9 ErrMin= 5.17D-07
 ErrMax= 5.17D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.04D-10 BMatP= 2.18D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.480D-04 0.405D-03 0.724D-03 0.650D-03-0.269D-02-0.250D-01
 Coeff-Com: -0.585D-01 0.243D+00 0.841D+00
 Coeff:     -0.480D-04 0.405D-03 0.724D-03 0.650D-03-0.269D-02-0.250D-01
 Coeff:     -0.585D-01 0.243D+00 0.841D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=6.22D-07 MaxDP=5.82D-05 DE=-5.43D-09 OVMax= 1.66D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.37D-07    CP:  1.18D+00  1.19D+00  1.15D+00  1.21D+00  1.43D+00
                    CP:  1.32D+00  1.53D+00  1.36D+00  1.14D+00
 E= -402.223239122610     Delta-E=       -0.000000000618 Rises=F Damp=F
 DIIS: error= 1.81D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.223239122610     IErMin=10 ErrMin= 1.81D-07
 ErrMax= 1.81D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.07D-11 BMatP= 3.04D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.102D-04-0.255D-03-0.122D-03 0.203D-02 0.290D-02-0.169D-03
 Coeff-Com: -0.302D-01-0.633D-01 0.164D+00 0.925D+00
 Coeff:      0.102D-04-0.255D-03-0.122D-03 0.203D-02 0.290D-02-0.169D-03
 Coeff:     -0.302D-01-0.633D-01 0.164D+00 0.925D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.52D-07 MaxDP=1.92D-05 DE=-6.18D-10 OVMax= 6.08D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.99D-08    CP:  1.18D+00  1.19D+00  1.15D+00  1.21D+00  1.43D+00
                    CP:  1.32D+00  1.54D+00  1.38D+00  1.25D+00  1.32D+00
 E= -402.223239122667     Delta-E=       -0.000000000057 Rises=F Damp=F
 DIIS: error= 5.06D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -402.223239122667     IErMin=11 ErrMin= 5.06D-08
 ErrMax= 5.06D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.07D-12 BMatP= 3.07D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.851D-05-0.118D-03-0.117D-03 0.490D-03 0.116D-02 0.253D-02
 Coeff-Com: -0.246D-02-0.431D-01-0.392D-01 0.268D+00 0.813D+00
 Coeff:      0.851D-05-0.118D-03-0.117D-03 0.490D-03 0.116D-02 0.253D-02
 Coeff:     -0.246D-02-0.431D-01-0.392D-01 0.268D+00 0.813D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=5.67D-08 MaxDP=1.82D-06 DE=-5.68D-11 OVMax= 1.55D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.43D-08    CP:  1.18D+00  1.19D+00  1.15D+00  1.21D+00  1.43D+00
                    CP:  1.32D+00  1.54D+00  1.38D+00  1.27D+00  1.40D+00
                    CP:  1.18D+00
 E= -402.223239122675     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 1.71D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -402.223239122675     IErMin=12 ErrMin= 1.71D-08
 ErrMax= 1.71D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.07D-13 BMatP= 4.07D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.389D-06 0.587D-05-0.106D-04-0.127D-03-0.836D-04 0.537D-03
 Coeff-Com:  0.285D-02-0.192D-02-0.282D-01-0.480D-01 0.177D+00 0.898D+00
 Coeff:      0.389D-06 0.587D-05-0.106D-04-0.127D-03-0.836D-04 0.537D-03
 Coeff:      0.285D-02-0.192D-02-0.282D-01-0.480D-01 0.177D+00 0.898D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.50D-08 MaxDP=2.96D-06 DE=-7.84D-12 OVMax= 5.31D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.32D-08    CP:  1.18D+00  1.19D+00  1.15D+00  1.21D+00  1.43D+00
                    CP:  1.32D+00  1.54D+00  1.38D+00  1.27D+00  1.43D+00
                    CP:  1.23D+00  1.22D+00
 E= -402.223239122681     Delta-E=       -0.000000000006 Rises=F Damp=F
 DIIS: error= 8.94D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -402.223239122681     IErMin=13 ErrMin= 8.94D-09
 ErrMax= 8.94D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.49D-14 BMatP= 4.07D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.928D-06 0.156D-04 0.113D-04-0.912D-04-0.163D-03-0.156D-03
 Coeff-Com:  0.978D-03 0.478D-02-0.199D-02-0.419D-01-0.606D-01 0.211D+00
 Coeff-Com:  0.888D+00
 Coeff:     -0.928D-06 0.156D-04 0.113D-04-0.912D-04-0.163D-03-0.156D-03
 Coeff:      0.978D-03 0.478D-02-0.199D-02-0.419D-01-0.606D-01 0.211D+00
 Coeff:      0.888D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=9.37D-09 MaxDP=9.75D-07 DE=-5.80D-12 OVMax= 2.62D-07

 SCF Done:  E(RM11) =  -402.223239123     A.U. after   13 cycles
            NFock= 13  Conv=0.94D-08     -V/T= 2.0071
 KE= 3.994003596098D+02 PE=-1.754348719326D+03 EE= 5.448748117326D+02
 Leave Link  502 at Thu Aug 12 21:02:26 2021, MaxMem=  5368709120 cpu:            2009.4 elap:             251.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.74269000D+02

 Leave Link  801 at Thu Aug 12 21:02:26 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.99D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.24D-01 4.61D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 1.73D-02 3.34D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 1.43D-03 9.65D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 6.79D-05 1.39D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 2.50D-06 2.54D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 8.77D-08 4.93D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 2.35D-09 7.62D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 5.42D-11 1.04D-06.
      9 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 1.05D-12 1.03D-07.
      5 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 2.03D-14 1.44D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-14
 Solved reduced A of dimension   113 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.882314D+02
      2  0.101526D+00  0.777100D+02
      3 -0.270751D+01  0.185427D+01  0.751767D+02
 Isotropic polarizability for W=    0.088559       80.37 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.731744D+02 -0.249666D+02  0.529397D+01
      2  -0.403135D+02  0.240379D+02 -0.117610D+02
      3  -0.328609D+02  0.928682D+00  0.646698D+01
      4  -0.238563D+02  0.426325D+02 -0.170847D+02
      5   0.123347D+02 -0.192535D+02  0.685436D+02
      6  -0.515932D+01  0.261161D-02 -0.632719D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.175111D+01  0.898099D+00  0.176136D-01
      2   0.577460D+01 -0.621096D+01  0.346944D+02
      3   0.688978D+01 -0.265122D+02  0.707147D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.216878D+01  0.117636D+02  0.725587D+01
      2  -0.704074D+01 -0.119254D+02  0.101404D+03
      3   0.111026D+01 -0.829460D+02  0.140941D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.111942D+00 -0.107782D+01 -0.681083D+00
      2  -0.107782D+01 -0.321163D+00  0.261743D+00
      3  -0.681083D+00  0.261743D+00 -0.457499D+00
 OR G Eigenvalues:    -1.3946    -0.6539     1.1579  Iso=     0.2969
 Eigenvectors:
   (1)   0.704159   0.624822   0.337279
   (2)   0.048328  -0.516086   0.855172
   (3)   0.708396  -0.585877  -0.393604
 w=    0.088559 a.u., Optical Rotation Beta=      0.2969 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      128.50 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 1.26D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.31D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 4.38D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 1.80D-02 2.24D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 9.70D-04 6.54D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.75D-05 6.42D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 2.18D-07 5.81D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.54D-09 5.85D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 2.56D-11 5.18D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 2.22D-13 4.32D-08.
      2 vectors produced by pass  8 Test12= 2.23D-14 2.78D-09 XBig12= 1.92D-15 3.90D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   242 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 8.17D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 8.17D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.99D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.882314D+02  0.101526D+00 -0.270751D+01
      2   0.101526D+00  0.777100D+02  0.185427D+01
      3  -0.270751D+01  0.185427D+01  0.751767D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.175111D+01  0.898099D+00  0.176136D-01
      2   0.577460D+01 -0.621096D+01  0.346944D+02
      3   0.688978D+01 -0.265122D+02  0.707147D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.731744D+02 -0.249666D+02  0.529397D+01
      2  -0.403135D+02  0.240379D+02 -0.117610D+02
      3  -0.328609D+02  0.928682D+00  0.646698D+01
      4  -0.238563D+02  0.426325D+02 -0.170847D+02
      5   0.123347D+02 -0.192535D+02  0.685436D+02
      6  -0.515932D+01  0.261161D-02 -0.632719D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.153550D+00  0.236505D+01 -0.388001D+01  0.370561D+01 -0.425575D+01
      2   0.236505D+01 -0.347400D+01  0.721000D+00 -0.425575D+01 -0.331824D+01
      3  -0.388001D+01  0.721000D+00  0.141010D+01  0.514123D+00 -0.127059D+01
                 6             7             8             9            10 
      1   0.514123D+00 -0.517485D+01  0.978273D+00  0.325119D-01  0.174518D+01
      2  -0.127059D+01  0.978273D+00 -0.139891D+01  0.165618D+01 -0.213137D+01
      3   0.190056D+01  0.325119D-01  0.165618D+01  0.743356D+01  0.423595D+01
                11            12            13            14            15 
      1  -0.213137D+01  0.423595D+01 -0.552496D+01  0.433335D+01 -0.364482D-01
      2   0.421297D+01 -0.173015D+00  0.433335D+01  0.488906D+01  0.231795D+01
      3  -0.173015D+00 -0.106793D+01 -0.364482D-01  0.231795D+01 -0.889228D+00
                16            17            18            19            20 
      1   0.637508D+01 -0.466369D+00 -0.534026D+00 -0.207367D+01  0.567952D+01
      2  -0.466369D+00  0.259327D+01 -0.271459D+00  0.567952D+01 -0.724284D+00
      3  -0.534026D+00 -0.271459D+00 -0.586748D+01 -0.151998D+01  0.133767D+00
                21            22            23            24            25 
      1  -0.151998D+01  0.603899D+01 -0.116682D+01  0.364932D+00 -0.381968D+01
      2   0.133767D+00 -0.116682D+01 -0.879335D+00 -0.959669D+00 -0.242259D+00
      3  -0.316569D+00  0.364932D+00 -0.959669D+00  0.178141D+01 -0.446747D+00
                26            27            28            29            30 
      1  -0.242259D+00 -0.446747D+00 -0.300197D+00 -0.390440D+01 -0.585456D+00
      2  -0.195650D+01  0.129334D+01 -0.390440D+01  0.276484D+00  0.145637D+01
      3   0.129334D+01  0.652906D+01 -0.585456D+00  0.145637D+01  0.418927D+00
                31            32            33            34            35 
      1  -0.329242D+01 -0.543728D-01  0.163194D+01 -0.300645D+01  0.199478D+01
      2  -0.543728D-01 -0.833574D+00  0.438070D+00  0.199478D+01  0.289124D+00
      3   0.163194D+01  0.438070D+00 -0.153056D+01  0.122627D+01 -0.116128D+01
                36            37            38            39            40 
      1   0.122627D+01  0.524822D+01  0.164546D+01 -0.167231D+01  0.454918D+00
      2  -0.116128D+01  0.164546D+01  0.172458D+01 -0.675532D+00  0.185753D+00
      3  -0.255959D+01 -0.167231D+01 -0.675532D+00  0.496903D+00 -0.102179D+01
                41            42            43            44            45 
      1   0.185753D+00 -0.102179D+01 -0.303944D+01 -0.175399D+01 -0.797403D+00
      2  -0.394080D+01 -0.161224D+01 -0.175399D+01 -0.235135D+01 -0.162534D+01
      3  -0.161224D+01 -0.699419D+00 -0.797403D+00 -0.162534D+01 -0.244282D+01
                46            47            48            49            50 
      1   0.119814D+01  0.258186D+01 -0.491538D+01  0.281271D+01 -0.397074D+01
      2   0.258186D+01 -0.367920D+01  0.552303D+00 -0.397074D+01 -0.268783D+01
      3  -0.491538D+01  0.552303D+00  0.877607D+00  0.618165D+00 -0.333273D+01
                51            52            53            54            55 
      1   0.618165D+00 -0.392684D+01  0.257336D+00  0.849359D+00  0.168839D+01
      2  -0.333273D+01  0.257336D+00 -0.254538D+01  0.606655D+00 -0.137607D+01
      3   0.156130D+01  0.849359D+00  0.606655D+00  0.366756D+01  0.901722D+00
                56            57            58            59            60 
      1  -0.137607D+01  0.901722D+00 -0.112452D+01  0.278785D+01 -0.816858D+00
      2   0.394352D+01 -0.799662D+00  0.278785D+01  0.179582D+01  0.955813D+00
      3  -0.799662D+00  0.257508D+01 -0.816858D+00  0.955813D+00 -0.179620D+01
                61            62            63            64            65 
      1   0.119877D+01 -0.127765D+01  0.267494D+01 -0.664463D+01  0.264013D+01
      2  -0.127765D+01  0.114326D+01 -0.160948D+01  0.264013D+01 -0.221876D+01
      3   0.267494D+01 -0.160948D+01 -0.243599D+01  0.283085D+01 -0.122105D+01
                66            67            68            69            70 
      1   0.283085D+01  0.356852D+01 -0.230030D+01 -0.957658D+00  0.516520D+01
      2  -0.122105D+01 -0.230030D+01  0.425433D+01  0.178282D+01 -0.105499D+01
      3  -0.184709D+01 -0.957658D+00  0.178282D+01  0.180414D+01 -0.282156D+01
                71            72            73            74            75 
      1  -0.105499D+01 -0.282156D+01  0.488942D+00 -0.747480D+00 -0.109325D+01
      2   0.219708D+01  0.208697D+01 -0.747480D+00  0.266559D+00 -0.579918D-01
      3   0.208697D+01  0.553486D+01 -0.109325D+01 -0.579918D-01  0.136414D+00
                76            77            78            79            80 
      1  -0.133701D+01  0.294754D+00 -0.151296D-01 -0.130225D+01  0.217186D-01
      2   0.294754D+00  0.662549D-01 -0.112475D+01  0.217186D-01 -0.121951D+01
      3  -0.151296D-01 -0.112475D+01 -0.680330D+00 -0.253668D-01 -0.309361D+00
                81            82            83            84            85 
      1  -0.253668D-01 -0.149725D+01 -0.116552D+01 -0.890448D+00 -0.119398D+01
      2  -0.309361D+00 -0.116552D+01 -0.151832D+01 -0.352459D-01 -0.145133D+01
      3  -0.875920D+01 -0.890448D+00 -0.352459D-01 -0.271444D+00 -0.659549D-01
                86            87            88            89            90 
      1  -0.145133D+01 -0.659549D-01 -0.116483D+01 -0.862788D-01 -0.140295D+00
      2  -0.773761D+01 -0.122200D+01 -0.862788D-01 -0.117948D+01 -0.130870D+01
      3  -0.122200D+01 -0.141399D+01 -0.140295D+00 -0.130870D+01 -0.102956D+00
                91            92            93            94            95 
      1  -0.749060D+01 -0.385561D+01  0.384177D+00 -0.211343D+01 -0.187679D+01
      2  -0.385561D+01 -0.321091D+01  0.862921D-01 -0.187679D+01 -0.232757D+01
      3   0.384177D+00  0.862921D-01 -0.105388D+01  0.178806D+00  0.599356D-01
                96            97            98            99           100 
      1   0.178806D+00  0.239196D+01  0.135241D+01 -0.100831D+01 -0.105328D+01
      2   0.599356D-01  0.135241D+01  0.113076D+01 -0.590632D+00  0.188864D+01
      3  -0.511834D+00 -0.100831D+01 -0.590632D+00  0.356519D+00 -0.107921D+01
               101           102           103           104           105 
      1   0.188864D+01 -0.107921D+01  0.175990D+01 -0.223030D+01  0.107479D+01
      2  -0.268960D+01  0.135139D+01 -0.223030D+01  0.493850D+01 -0.197709D+01
      3   0.135139D+01 -0.125140D+01  0.107479D+01 -0.197709D+01  0.165759D+01
               106           107           108           109           110 
      1  -0.180107D+01  0.153443D+01 -0.143558D+01 -0.751703D-01  0.561412D+00
      2   0.153443D+01 -0.323194D+01  0.225772D+01  0.561412D+00 -0.647515D+00
      3  -0.143558D+01  0.225772D+01 -0.234658D+01  0.298279D+00 -0.545669D+00
               111           112           113           114           115 
      1   0.298279D+00  0.603223D+00 -0.346319D+00 -0.536952D+00  0.133171D+01
      2  -0.545669D+00 -0.346319D+00  0.150417D+01  0.102717D+01 -0.422946D+00
      3  -0.897302D+00 -0.536952D+00  0.102717D+01  0.118272D+01 -0.817553D+00
               116           117           118           119           120 
      1  -0.422946D+00 -0.817553D+00  0.122669D+01  0.102736D+01  0.116302D+01
      2   0.245790D+01  0.149780D+01  0.102736D+01  0.163318D+01  0.607523D+00
      3   0.149780D+01  0.443788D+01  0.116302D+01  0.607523D+00  0.891947D+00
               121           122           123           124           125 
      1   0.158458D+01  0.160269D+01  0.883329D+00  0.821551D+00  0.485853D+00
      2   0.160269D+01  0.537372D+01  0.192036D+01  0.485853D+00  0.133112D+01
      3   0.883329D+00  0.192036D+01  0.267622D+01  0.423099D+00  0.136146D+01
               126           127           128           129           130 
      1   0.423099D+00 -0.530353D+01 -0.824109D+00  0.250372D+01 -0.825564D+00
      2   0.136146D+01 -0.824109D+00 -0.813526D+00  0.619785D+00 -0.481299D+00
      3   0.116518D+01  0.250372D+01  0.619785D+00 -0.354590D+01  0.377231D+00
               131           132           133           134           135 
      1  -0.481299D+00  0.377231D+00  0.198224D+01  0.387270D+00 -0.222150D+01
      2  -0.403680D+00  0.115149D+01  0.387270D+00  0.862641D+00 -0.612844D+00
      3   0.115149D+01 -0.878718D+00 -0.222150D+01 -0.612844D+00  0.313249D+01
               136           137           138           139           140 
      1   0.392160D+01 -0.244463D+01  0.267076D+01 -0.277604D+01  0.262367D+01
      2  -0.244463D+01  0.246399D+01 -0.139116D+01  0.262367D+01 -0.328205D+01
      3   0.267076D+01 -0.139116D+01  0.238806D+01 -0.156014D+01  0.236493D+01
               141           142           143           144           145 
      1  -0.156014D+01  0.164454D+01 -0.971467D+00  0.163951D+01  0.106893D+00
      2   0.236493D+01 -0.971467D+00  0.154815D+01 -0.167615D+01 -0.359884D+00
      3  -0.263168D+01  0.163951D+01 -0.167615D+01  0.233578D+01 -0.771448D+00
               146           147           148           149           150 
      1  -0.359884D+00 -0.771448D+00 -0.776358D+00  0.721091D+00  0.188537D+00
      2   0.230397D+00 -0.124083D-01  0.721091D+00 -0.370404D+00 -0.121047D+01
      3  -0.124083D-01 -0.265989D+00  0.188537D+00 -0.121047D+01 -0.143826D+01
               151           152           153           154           155 
      1  -0.169609D+01  0.214243D+00  0.171241D+01  0.185094D+01  0.146983D+01
      2   0.214243D+00 -0.126900D+01 -0.126451D+01  0.146983D+01  0.182796D+01
      3   0.171241D+01 -0.126451D+01 -0.987216D+01  0.301530D+00 -0.140897D+00
               156           157           158           159           160 
      1   0.301530D+00  0.291981D+01  0.233387D+01 -0.435243D+00  0.943601D+00
      2  -0.140897D+00  0.233387D+01  0.571412D+01  0.404196D-01  0.502518D-01
      3   0.300115D+00 -0.435243D+00  0.404196D-01  0.119078D+01  0.507042D+00
               161           162           163           164           165 
      1   0.502518D-01  0.507042D+00  0.680978D+01 -0.305020D+01  0.111749D+01
      2   0.512343D+00  0.647558D+00 -0.305020D+01  0.239647D+01 -0.475812D+00
      3   0.647558D+00 -0.583029D+00  0.111749D+01 -0.475812D+00  0.102235D+01
               166           167           168           169           170 
      1  -0.448399D+01  0.325099D+01 -0.385672D+00  0.307684D+01 -0.100061D+01
      2   0.325099D+01 -0.275488D+01  0.650584D+00 -0.100061D+01  0.108642D+01
      3  -0.385672D+00  0.650584D+00 -0.128450D+01  0.118321D+01 -0.977918D+00
               171 
      1   0.118321D+01
      2  -0.977918D+00
      3   0.376908D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.381090D+01  0.328992D+01 -0.231165D-02  0.441675D+01  0.248921D+01
      2  -0.105360D+02  0.406234D+01  0.146283D+01  0.494365D+01 -0.707771D+01
      3  -0.632315D+01  0.674530D+01 -0.272245D+00  0.149703D+02  0.118521D+02
                 6             7             8             9            10 
      1  -0.821389D+00  0.349620D+00  0.306048D+01  0.120251D+00  0.397957D+01
      2   0.550164D+01 -0.875882D+01  0.560818D+01  0.217652D+02  0.795520D+01
      3   0.187408D+01 -0.158617D+01  0.335069D+01 -0.509490D+01  0.177698D+01
                11            12            13            14            15 
      1  -0.542405D+00 -0.449384D+00 -0.654868D+00  0.293279D+01 -0.496403D+01
      2  -0.149806D+01  0.341773D+01 -0.470741D+01  0.302225D+01 -0.138427D+01
      3  -0.575800D+01 -0.146255D+01  0.374472D+00 -0.112861D+02 -0.265635D+01
                16            17            18            19            20 
      1  -0.150711D+01  0.203991D+01 -0.288415D+01 -0.495378D+01 -0.378244D-01
      2  -0.301008D+01 -0.937930D-01 -0.592659D+01 -0.115946D+01  0.218335D+01
      3  -0.697911D-01 -0.234069D+01  0.120108D+01  0.464650D+01 -0.372598D+01
                21            22            23            24            25 
      1  -0.130630D+01  0.481480D+00  0.210774D+01  0.654789D+00 -0.975952D+00
      2   0.188461D+01  0.513818D+01 -0.176317D+01  0.169598D+01 -0.854996D+01
      3   0.140250D+01  0.244841D+01  0.601079D+00  0.903635D+00 -0.175880D+01
                26            27            28            29            30 
      1   0.488355D+01 -0.298151D+01  0.305709D+01  0.355944D+01  0.107974D+01
      2  -0.340885D+00 -0.192107D+01 -0.787995D+01 -0.240969D+01 -0.500097D+01
      3   0.713556D+00  0.146465D+00 -0.822548D+01  0.177424D+01 -0.176192D+01
                31            32            33            34            35 
      1   0.816296D+00 -0.719598D+01  0.154593D+00  0.145213D+01  0.383807D+01
      2   0.317876D+01  0.288240D+01  0.459290D+00 -0.131468D+02 -0.848600D+00
      3   0.522885D+01  0.249480D+01 -0.326308D+01 -0.698267D+01 -0.822145D+01
                36            37            38            39            40 
      1   0.633562D+01 -0.320722D+01 -0.939852D+00 -0.462793D+00 -0.630885D-01
      2   0.876287D+01  0.630355D+01  0.311965D+01  0.866690D+00 -0.250775D+01
      3  -0.202354D+01 -0.200406D+01 -0.844974D+00  0.793130D+00  0.502226D+01
                41            42            43            44            45 
      1   0.206970D+01 -0.487141D+01  0.216188D+01  0.303907D+01 -0.284959D+01
      2   0.241338D+01  0.184419D+01 -0.396121D+01  0.241578D+01  0.489193D+01
      3  -0.822702D+01 -0.197594D+01  0.265313D+01 -0.981021D+00 -0.305596D+01
                46            47            48            49            50 
      1   0.228970D+01 -0.690861D+01  0.179207D+01 -0.741897D+01 -0.687616D+01
      2  -0.106409D+02 -0.433176D+01  0.148107D+02 -0.294611D+01  0.264936D+01
      3  -0.428208D+01  0.170014D+01  0.112398D+01  0.629486D+01  0.565065D+01
                51            52            53            54            55 
      1  -0.985911D+01  0.107399D+01 -0.309814D+01  0.447822D+01 -0.826411D+00
      2   0.590436D+00  0.725740D+01  0.461278D+00  0.229989D+01  0.146001D+01
      3   0.423376D+01  0.130174D+01  0.321181D+01 -0.116760D+01  0.482613D+01
                56            57            58            59            60 
      1   0.935647D+00 -0.682979D+01  0.629364D+00 -0.493231D+01 -0.843632D+00
      2  -0.131895D+00  0.482064D+01 -0.710317D+00  0.141719D+01 -0.605226D+00
      3  -0.928750D+01  0.184379D+01  0.264495D+01  0.705865D+01 -0.206400D+01
                61            62            63            64            65 
      1  -0.593508D+01  0.870553D+01  0.590715D+01 -0.102999D+01 -0.291131D+01
      2   0.427880D-01 -0.312417D+00  0.179936D+00 -0.145092D+01  0.249934D+01
      3   0.147519D+01 -0.283263D+01  0.762338D+01  0.248910D+01 -0.890177D+01
                66            67            68            69            70 
      1   0.168307D+01  0.486555D+00  0.242151D+01 -0.337427D+01 -0.560916D+00
      2   0.954568D+01  0.102966D+01 -0.537816D+01 -0.346489D+01  0.287567D+01
      3  -0.716507D+00 -0.782520D-02  0.733550D+01  0.417476D+01  0.450237D+01
                71            72            73            74            75 
      1   0.413193D+01 -0.234715D+01  0.104851D+01 -0.193026D+00  0.266669D+00
      2  -0.321833D+01 -0.129487D+02  0.855508D+00 -0.523122D+00 -0.258709D+00
      3   0.740572D+01  0.367562D+01  0.260024D+00 -0.605766D+00 -0.634426D+00
                76            77            78            79            80 
      1  -0.231009D+00  0.179744D+00  0.232537D+00  0.133227D-01  0.379725D+01
      2  -0.136505D+01  0.271210D+00 -0.148092D+00 -0.353967D+01  0.191424D+00
      3   0.148768D+01 -0.144992D-01 -0.410526D+00  0.401130D+00 -0.180281D+00
                81            82            83            84            85 
      1   0.245595D+01 -0.126892D+01 -0.300459D-02 -0.643630D+00 -0.157959D+00
      2   0.797047D+00 -0.128812D+01 -0.192335D+00  0.320919D+00 -0.255113D+00
      3  -0.285380D+00  0.407756D+01  0.194399D+01  0.980652D+00  0.626833D+01
                86            87            88            89            90 
      1  -0.299993D+00 -0.376651D+01 -0.136972D+00  0.190718D+00 -0.192589D+00
      2  -0.103189D+01 -0.103633D+01 -0.176488D+01 -0.140843D+01 -0.428039D-01
      3   0.932475D+01  0.153371D+01  0.158893D+01  0.152082D+01  0.167407D+01
                91            92            93            94            95 
      1   0.346694D+01  0.213720D+01 -0.187670D+01  0.182554D+01  0.173900D+01
      2  -0.513290D+01 -0.304622D+01  0.352661D+01 -0.215914D+01 -0.176368D+01
      3   0.286529D+01 -0.288563D+01 -0.562329D+00  0.416875D+00 -0.168668D+01
                96            97            98            99           100 
      1  -0.892515D+00 -0.183590D+01 -0.758914D+00  0.114016D+01  0.117028D+01
      2   0.135493D+01  0.283085D+01  0.168140D+01 -0.221833D+01 -0.158064D+01
      3   0.176605D+00 -0.329669D+00  0.138473D+01 -0.241958D+00 -0.367469D+01
               101           102           103           104           105 
      1  -0.169591D+01  0.334588D+01 -0.174026D+01  0.189758D+01 -0.385993D+01
      2   0.958690D+00  0.236048D-01  0.138036D+01 -0.124053D+01  0.301759D+00
      3   0.343991D+01 -0.256913D+01  0.628862D+01 -0.526155D+01  0.312397D+01
               106           107           108           109           110 
      1   0.262401D+01 -0.228887D+01  0.392158D+01 -0.982571D+00  0.126749D+01
      2  -0.224088D+01  0.962418D+00 -0.713821D+00  0.879021D+00  0.220598D+00
      3  -0.489181D+01  0.397317D+01 -0.390126D+01 -0.807437D+00 -0.559610D-01
               111           112           113           114           115 
      1   0.256755D+01  0.150071D+01 -0.294079D+01 -0.339892D+01  0.230457D+01
      2  -0.412975D+00  0.148781D+00  0.124286D+00  0.326537D+00 -0.258350D+01
      3   0.110285D+01  0.162335D+01 -0.110097D+01 -0.156509D+01  0.397391D+01
               116           117           118           119           120 
      1  -0.251202D+01 -0.122888D+02  0.246421D+01  0.344723D+01  0.103773D+01
      2   0.452416D+00  0.747661D+00 -0.275675D+00 -0.942190D+00  0.432954D+00
      3  -0.157409D+01 -0.283890D+01 -0.106173D+01 -0.327223D+01 -0.123240D+01
               121           122           123           124           125 
      1   0.294685D+01  0.134514D+02  0.182052D+01  0.154527D+01  0.402526D+01
      2  -0.268331D+01 -0.264306D+00  0.284129D+01 -0.201067D+01  0.794376D+00
      3  -0.236142D+00 -0.899576D+01 -0.228109D+01 -0.619948D+00 -0.159588D+01
               126           127           128           129           130 
      1   0.285281D+01  0.158513D+00 -0.237565D+01 -0.120459D+01 -0.856212D+00
      2   0.734298D+00  0.170062D+02  0.207171D+01 -0.652854D+01  0.183038D+01
      3  -0.216082D+01  0.419114D+01 -0.483845D+00 -0.146770D+01  0.197106D+01
               131           132           133           134           135 
      1   0.188834D+00  0.713071D+00 -0.527629D+00  0.270089D+01  0.573496D+00
      2   0.212053D+01 -0.145136D+01 -0.848261D+01 -0.153745D+01  0.696625D+01
      3   0.438319D+00 -0.143537D+01 -0.127498D+01 -0.250990D+00  0.172844D+01
               136           137           138           139           140 
      1  -0.290196D+01  0.478785D+01 -0.225560D+00  0.391315D+01 -0.504853D+01
      2  -0.385967D+01  0.248278D+01  0.701539D+00  0.363974D+01 -0.136252D+01
      3   0.439575D+00 -0.366058D+01  0.586719D+00 -0.421128D+00  0.369628D+01
               141           142           143           144           145 
      1   0.788665D+00 -0.125770D+01  0.323690D+01 -0.126272D+01 -0.295331D-01
      2  -0.181386D+01 -0.298716D+01 -0.786219D-01  0.767241D+00 -0.239281D+01
      3  -0.235120D+01 -0.225867D+00 -0.217105D+01  0.139265D+01  0.113704D+01
               146           147           148           149           150 
      1  -0.980739D-01 -0.804547D-01 -0.421926D+00  0.526198D-01 -0.505602D+00
      2  -0.391005D+00 -0.132401D+00 -0.705662D+00 -0.211512D+01 -0.366828D+01
      3  -0.119673D+01  0.389626D+00 -0.561590D+00  0.373015D+00  0.273516D+01
               151           152           153           154           155 
      1   0.344239D+00  0.368015D+01 -0.276744D+01 -0.137566D+01 -0.184358D+01
      2  -0.997539D+00 -0.313203D+01 -0.245662D+02  0.214491D+01  0.956092D+00
      3   0.600961D+00  0.351510D+01  0.286115D+01 -0.448344D+01 -0.615903D+01
               156           157           158           159           160 
      1  -0.563198D+00 -0.185020D+01 -0.510320D+01 -0.200991D+01 -0.136577D+00
      2   0.195204D+01  0.109336D+01  0.263676D+01  0.387576D+01  0.748961D+00
      3   0.402718D+00 -0.431560D+01 -0.190924D+02 -0.323592D+00  0.169715D+00
               161           162           163           164           165 
      1   0.565333D+00 -0.617860D+00  0.275214D+01 -0.187553D+01  0.187201D+01
      2   0.167650D+01 -0.895401D+00  0.823959D+01 -0.415280D+01  0.615427D+01
      3  -0.164215D+01 -0.167839D+01  0.410015D+01 -0.761537D+01  0.112019D+01
               166           167           168           169           170 
      1  -0.226917D+01  0.193142D+01 -0.278422D+01  0.105738D+01 -0.387313D+00
      2  -0.434302D+01  0.445970D+01 -0.521950D+01  0.417370D+01 -0.333187D+01
      3  -0.539337D+01  0.689843D+01 -0.178719D+01  0.107263D+01 -0.328537D+01
               171 
      1   0.133968D+01
      2   0.267833D+01
      3   0.214586D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.209477D+01  0.131637D+02 -0.198486D+02  0.160169D+02 -0.259023D+02
      2  -0.646342D+01 -0.314273D+01  0.932771D+01 -0.565614D+01  0.950140D+01
      3   0.855819D+01 -0.100209D+02  0.105209D+02 -0.103608D+02  0.164009D+02
      4   0.172662D+02 -0.213218D+02  0.634819D+01 -0.292737D+02 -0.141730D+02
      5  -0.216333D+02  0.277010D+01  0.790110D+01  0.193565D+01 -0.393623D+01
      6   0.145016D+01  0.244769D+01 -0.116787D+01  0.302994D+01  0.589170D+01
                 6             7             8             9            10 
      1   0.501871D+01 -0.249387D+02  0.762395D+01  0.157965D+02 -0.963298D+01
      2   0.158180D+01  0.898300D+01  0.539692D+00  0.685048D+01  0.436830D+00
      3  -0.660051D+01  0.159557D+02 -0.816364D+01 -0.226470D+02  0.919615D+01
      4  -0.629125D+01  0.906562D+01 -0.860447D+01  0.859678D+01 -0.337447D+01
      5   0.753113D+01  0.366893D+01  0.760663D+01  0.303251D+02  0.161030D+02
      6  -0.616270D+00  0.612200D+00 -0.109857D+01 -0.113197D+02 -0.463143D+01
                11            12            13            14            15 
      1  -0.810407D+00  0.136512D+02 -0.188576D+01  0.188944D+02  0.258485D+01
      2  -0.230968D+01 -0.873438D+01 -0.111427D+01 -0.242520D+02 -0.396298D+01
      3   0.312009D+01 -0.491683D+01  0.300003D+01  0.535757D+01  0.137813D+01
      4   0.805998D+01 -0.392603D+01  0.161604D+02  0.463273D+01  0.389694D+01
      5  -0.969231D+00 -0.367826D+01 -0.571981D+00  0.402598D+01 -0.241110D+01
      6   0.238732D+00  0.133392D+01  0.454919D+00 -0.595728D+01  0.401821D+01
                16            17            18            19            20 
      1   0.177922D+02  0.373472D+00  0.569050D+00 -0.976277D+01 -0.578351D+01
      2  -0.845118D+01 -0.179943D+01  0.212836D+01  0.129479D+02  0.154982D+01
      3  -0.934101D+01  0.142596D+01 -0.269741D+01 -0.318511D+01  0.423369D+01
      4  -0.546674D+01  0.399950D+01 -0.712799D+00 -0.304053D+01 -0.177824D+01
      5  -0.333403D+01 -0.459021D+00 -0.140919D+02 -0.398124D+01 -0.146488D+01
      6  -0.149686D+00 -0.106278D+01  0.260291D+01 -0.490325D+00 -0.882461D+00
                21            22            23            24            25 
      1  -0.520807D+00  0.610983D+00 -0.288364D+00  0.163722D+01 -0.542952D+01
      2   0.175859D+01 -0.264835D+01 -0.522099D+01  0.128209D+00  0.195188D+01
      3  -0.123778D+01  0.203737D+01  0.550935D+01 -0.176543D+01  0.347764D+01
      4   0.920327D+00 -0.129135D+02 -0.149231D+01 -0.427816D+00  0.329317D+01
      5   0.144885D+01  0.200242D+01  0.740543D+00  0.253641D+01  0.190767D+01
      6   0.160722D+00  0.611322D-02  0.333180D+01 -0.331365D+01 -0.376642D+00
                26            27            28            29            30 
      1   0.514785D+01  0.107921D+02 -0.443200D+01  0.114890D+02  0.293266D+00
      2  -0.305217D+01  0.131621D+02  0.778322D-01 -0.656810D+01 -0.454550D+01
      3  -0.209568D+01 -0.239542D+02  0.435417D+01 -0.492092D+01  0.425223D+01
      4  -0.811228D+00 -0.123492D+01  0.123654D+02 -0.695512D+01 -0.698152D+01
      5  -0.523269D+00 -0.794825D+00  0.786615D+01 -0.661287D+01 -0.103060D+02
      6   0.302329D+01  0.106644D+01 -0.347321D+01  0.923164D+00 -0.141144D+01
                31            32            33            34            35 
      1   0.148003D+02  0.346984D+01 -0.441093D+01  0.118138D+02 -0.541029D+01
      2  -0.886388D+01 -0.687868D+01  0.838935D+01 -0.710901D+01 -0.959356D+00
      3  -0.593640D+01  0.340884D+01 -0.397842D+01 -0.470484D+01  0.636964D+01
      4  -0.560459D+01 -0.152093D+01 -0.551021D+00 -0.113532D+02  0.646353D+01
      5  -0.142618D+02  0.271812D+00 -0.132417D+01 -0.769689D+01  0.938621D+00
      6  -0.321519D+01 -0.596632D+01 -0.220040D+01 -0.189580D+01 -0.725763D+00
                36            37            38            39            40 
      1  -0.701111D+01 -0.165610D+02 -0.664728D+01  0.702316D+01 -0.672228D+01
      2   0.368574D+01  0.397609D+01  0.185783D+01 -0.379498D+01  0.351357D+01
      3   0.332537D+01  0.125849D+02  0.478945D+01 -0.322818D+01  0.320871D+01
      4   0.273375D+01 -0.138782D+02 -0.402035D+01  0.601774D+01  0.566368D+01
      5   0.144094D+02  0.675471D+01  0.346725D+01  0.643775D+01  0.702222D+01
      6  -0.526134D+01  0.515929D+01  0.230550D+01  0.118640D+01  0.519102D+01
                41            42            43            44            45 
      1  -0.161698D+02 -0.766749D+00  0.108591D+02  0.168705D+01 -0.452878D+01
      2   0.221614D+02  0.225719D+00 -0.403911D+01  0.167145D+01 -0.259741D+01
      3  -0.599160D+01  0.541030D+00 -0.682004D+01 -0.335849D+01  0.712620D+01
      4   0.159980D+02  0.688767D+01  0.128889D+02  0.102307D+02  0.564560D+01
      5   0.717277D+01  0.722843D+01  0.993240D+01  0.854853D+01  0.126432D+02
      6   0.880373D+01  0.978360D+01  0.288532D+01  0.103454D+02  0.850888D+01
                46            47            48            49            50 
      1   0.122937D+02  0.518570D+01 -0.129798D+02  0.435630D+01 -0.610624D+01
      2   0.183572D+01 -0.613141D+00  0.287287D+01 -0.108296D+01  0.990164D+01
      3  -0.141294D+02 -0.457256D+01  0.101069D+02 -0.327334D+01 -0.379540D+01
      4   0.529625D+01 -0.145623D+02  0.870630D+01 -0.163413D+02 -0.354531D+01
      5  -0.684298D+01  0.950170D+01 -0.130943D+02  0.826692D+01 -0.208831D+02
      6   0.138923D+02 -0.135120D+02  0.129459D+00 -0.149091D+02 -0.604180D+01
                51            52            53            54            55 
      1   0.383803D+00 -0.116450D+02 -0.135090D+01 -0.630356D+01  0.112099D+02
      2  -0.491799D+00  0.171846D+01  0.286898D+00 -0.694585D+01 -0.812591D+01
      3   0.107996D+00  0.992656D+01  0.106400D+01  0.132494D+02 -0.308400D+01
      4  -0.124695D+02  0.701274D+01 -0.849078D+01  0.193693D+01  0.393049D+01
      5   0.476702D+01 -0.124942D+02  0.205862D+01  0.126783D+02 -0.113315D+01
      6  -0.138113D+02  0.820864D+00 -0.100568D+02  0.275828D+01  0.399911D+01
                56            57            58            59            60 
      1  -0.109772D+02  0.214302D+01 -0.848292D+01 -0.750311D+01 -0.229310D+01
      2   0.169978D+02 -0.259861D+01  0.150873D+02  0.184900D+02  0.434914D+01
      3  -0.602060D+01  0.455588D+00 -0.660434D+01 -0.109869D+02 -0.205604D+01
      4  -0.119846D+01  0.254784D+01  0.694207D+01  0.170997D+02 -0.291566D+01
      5   0.189933D+01  0.197960D+01  0.594408D+00 -0.342552D+01  0.125372D+01
      6  -0.689876D+01  0.117762D+02 -0.576209D+01  0.433522D+01 -0.254348D+01
                61            62            63            64            65 
      1   0.379861D+01 -0.114193D+01  0.418545D+01  0.377629D+02 -0.103274D+02
      2  -0.326646D+01  0.427848D+01 -0.994048D+01 -0.202455D+02  0.376244D+01
      3  -0.532151D+00 -0.313655D+01  0.575502D+01 -0.175174D+02  0.656497D+01
      4   0.281896D+01 -0.229326D+01  0.105241D+02 -0.172911D+02  0.187073D+02
      5   0.453905D+01  0.348345D+01 -0.261677D+01 -0.166293D+02  0.728595D+01
      6   0.122324D+02 -0.584447D+01 -0.786059D+01  0.270671D+01 -0.207656D+01
                66            67            68            69            70 
      1  -0.931916D+01 -0.129762D+02  0.286323D+01  0.123803D+01 -0.131258D+02
      2   0.989971D+01  0.512960D+01  0.443622D+01 -0.250591D+01  0.922286D+01
      3  -0.580554D+00  0.784657D+01 -0.729945D+01  0.126787D+01  0.390296D+01
      4   0.743064D+01  0.179347D+02 -0.175913D+02 -0.880194D+01  0.659737D+01
      5   0.187262D+02  0.695536D+01 -0.907518D+01 -0.707733D+01  0.206086D+02
      6  -0.254557D+01 -0.376306D+01  0.306567D+01  0.730761D+01 -0.277610D+01
                71            72            73            74            75 
      1   0.115541D+01  0.357362D+01  0.538728D+00  0.266867D+00  0.895043D-03
      2  -0.103400D+01 -0.142817D+02 -0.449489D+01  0.433551D+00 -0.304324D+00
      3  -0.121408D+00  0.107081D+02  0.395617D+01 -0.700418D+00  0.303429D+00
      4  -0.118207D+02 -0.102619D+02  0.862584D-01  0.140426D+01 -0.666149D+00
      5  -0.879999D+01 -0.270529D+02  0.785259D-01  0.729485D-01  0.608241D+01
      6   0.673236D+01  0.466600D+01 -0.410636D+00  0.285869D-01 -0.505305D-01
                76            77            78            79            80 
      1   0.100733D+01 -0.381042D+01 -0.117893D+01  0.740523D+00  0.395547D+00
      2   0.334772D+00  0.124735D+00 -0.172019D+01 -0.128452D+00 -0.240284D+01
      3  -0.134210D+01  0.368569D+01  0.289911D+01 -0.612071D+00  0.200729D+01
      4   0.238779D+01 -0.154266D+00  0.741272D-01 -0.384902D+00  0.310115D+00
      5   0.874324D-01 -0.239902D+00 -0.255400D+00  0.518913D+01  0.266588D+00
      6   0.152808D+00  0.450136D+00  0.650047D+01  0.540746D-01  0.485404D+01
                81            82            83            84            85 
      1  -0.203365D+02 -0.102762D+01 -0.376843D+01 -0.216018D+01 -0.553813D+01
      2  -0.170951D+02  0.486127D+01  0.515341D+01  0.195597D+01  0.649031D+01
      3   0.374316D+02 -0.383365D+01 -0.138498D+01  0.204209D+00 -0.952172D+00
      4   0.687576D+00  0.899221D+00  0.409174D+01  0.901065D+00  0.261817D+01
      5   0.156844D+01 -0.131633D+01  0.654743D+00  0.123837D+01  0.109884D+01
      6  -0.316681D+01  0.142371D+01  0.109560D+01  0.778214D+00  0.853726D+00
                86            87            88            89            90 
      1  -0.203645D+02 -0.155246D+01 -0.330787D+01 -0.259859D+01 -0.439924D+01
      2   0.337034D+02  0.429311D+01  0.217881D+01  0.337773D+01  0.306068D+01
      3  -0.133389D+02 -0.274065D+01  0.112905D+01 -0.779136D+00  0.133856D+01
      4  -0.930518D+01 -0.171727D+01  0.434173D+00 -0.156587D+01 -0.108120D+01
      5  -0.166027D+01 -0.281597D+01  0.232080D+01 -0.165507D+01  0.691355D+00
      6   0.585698D+01  0.556108D+01  0.157863D+01  0.765518D+01  0.282982D+01
                91            92            93            94            95 
      1   0.354377D+02  0.147872D+02 -0.258318D+01  0.575384D+01  0.475598D+01
      2  -0.125351D+02 -0.290059D+01  0.280625D+00  0.103563D+01  0.233914D+01
      3  -0.229026D+02 -0.118866D+02  0.230255D+01 -0.678947D+01 -0.709512D+01
      4   0.278669D+02  0.189752D+02 -0.133327D+01  0.125810D+02  0.121663D+02
      5   0.182071D+01  0.127006D+01  0.473646D+01  0.304244D+00  0.526549D+00
      6  -0.120227D+01  0.123082D+00  0.239674D+01  0.241518D+00  0.141720D+00
                96            97            98            99           100 
      1  -0.450325D+00 -0.980220D+01 -0.454496D+01  0.324657D+01 -0.233932D+01
      2  -0.338342D+00  0.303523D+01  0.227699D+00 -0.139432D+01  0.547412D+01
      3   0.788667D+00  0.676697D+01  0.431726D+01 -0.185225D+01 -0.313480D+01
      4  -0.798899D+00 -0.930414D+01 -0.691044D+01  0.428189D+01 -0.578477D+01
      5   0.170358D+01  0.546805D+01  0.286080D+01 -0.202817D+01  0.303467D+01
      6   0.174510D+01  0.337729D+01  0.259488D+01 -0.162920D+01 -0.615111D+01
               101           102           103           104           105 
      1   0.811841D+01 -0.376207D+01  0.615570D+01 -0.148043D+02  0.637611D+01
      2  -0.127038D+02  0.449836D+01 -0.989080D+01  0.233960D+02 -0.875011D+01
      3   0.458539D+01 -0.736286D+00  0.373510D+01 -0.859171D+01  0.237400D+01
      4   0.103671D+02 -0.503994D+01  0.892405D+01 -0.103713D+02  0.482121D+01
      5  -0.329358D+01  0.386447D+01 -0.197871D+01  0.341440D+01 -0.188889D+01
      6   0.933385D+01 -0.787658D+01  0.708769D+01 -0.141458D+02  0.102605D+02
               106           107           108           109           110 
      1  -0.478195D+01  0.948023D+01 -0.848120D+01 -0.105154D+01  0.258914D+01
      2   0.506444D+01 -0.108337D+02  0.628751D+01  0.162653D+01 -0.393280D+01
      3  -0.282488D+00  0.135351D+01  0.219369D+01 -0.574992D+00  0.134366D+01
      4  -0.598393D+01  0.629071D+01 -0.587498D+01  0.216861D+00  0.350312D+01
      5   0.349236D+01 -0.307543D+01  0.323474D+01 -0.130271D+01 -0.381485D+00
      6  -0.783969D+01  0.142608D+02 -0.122937D+02  0.866805D+00 -0.221272D+01
               111           112           113           114           115 
      1   0.138953D+01  0.133727D+01 -0.474429D+01 -0.305590D+01  0.870762D+00
      2  -0.210422D+01 -0.194329D+01  0.708501D+01  0.444961D+01 -0.184684D+01
      3   0.714694D+00  0.606024D+00 -0.234072D+01 -0.139370D+01  0.976073D+00
      4   0.609968D+00  0.374244D+01 -0.218023D+01 -0.177405D+01  0.366990D+01
      5   0.163117D+01 -0.210887D+00 -0.288808D+00 -0.338641D+00  0.604210D+00
      6  -0.408123D+01 -0.210250D+01  0.433715D+01  0.769928D+01 -0.436083D+01
               116           117           118           119           120 
      1  -0.700223D+01 -0.679081D+01  0.359476D+01  0.310467D+01  0.180696D+01
      2   0.966054D+01  0.443104D+01 -0.367871D+01 -0.267308D+01 -0.310581D+01
      3  -0.265832D+01  0.235977D+01  0.839471D-01 -0.431597D+00  0.129885D+01
      4  -0.221086D+01 -0.389408D+01  0.505911D+01  0.817384D+01  0.185420D+01
      5  -0.996711D+00 -0.875202D-01  0.706439D+01  0.503242D+01  0.802910D+01
      6   0.801510D+01  0.177929D+02  0.291422D+01  0.669984D+01  0.254040D+01
               121           122           123           124           125 
      1   0.444396D+01 -0.211621D+01 -0.393864D+01  0.703598D+00 -0.238118D+01
      2  -0.395532D+01  0.129912D+01 -0.539382D+01 -0.168074D+01 -0.286194D+01
      3  -0.488644D+00  0.817088D+00  0.933246D+01  0.977141D+00  0.524312D+01
      4   0.822412D+01  0.158953D+02  0.725690D+01  0.117090D+01  0.451469D+01
      5   0.793119D+01  0.117037D+02  0.100313D+02  0.568676D+01  0.563835D+01
      6   0.718261D+01  0.193512D+02  0.106271D+02  0.255909D+01  0.950266D+01
               126           127           128           129           130 
      1  -0.300850D+01 -0.968952D+01 -0.394509D+01  0.138695D+02 -0.308075D+01
      2  -0.227490D+01 -0.947194D+00  0.144813D+01  0.378945D+01  0.158195D+01
      3   0.528340D+01  0.106367D+02  0.249696D+01 -0.176589D+02  0.149881D+01
      4   0.422047D+01  0.452326D+01  0.293889D+01 -0.323971D+01  0.375608D+01
      5   0.510949D+01 -0.135544D+02 -0.284548D+01  0.628558D+01 -0.277747D+01
      6   0.576156D+01 -0.568067D+01 -0.459764D+01  0.567623D+01 -0.292703D+01
               131           132           133           134           135 
      1  -0.353144D+01  0.301443D+01  0.104595D+02  0.274504D+01 -0.133140D+02
      2   0.891575D+00 -0.520659D+00  0.245348D+01 -0.266534D+00 -0.563268D+01
      3   0.263987D+01 -0.249377D+01 -0.129130D+02 -0.247851D+01  0.189467D+02
      4   0.127325D+01  0.807698D+00 -0.226570D+01  0.319670D+00  0.185866D+01
      5   0.448875D+00  0.248253D+00  0.818339D+01  0.926123D+00 -0.548038D+01
      6  -0.263706D+01  0.661692D+01  0.360525D+01  0.579366D+01 -0.522250D+01
               136           137           138           139           140 
      1   0.118570D+02 -0.453706D+01  0.299492D+01 -0.508210D+01 -0.150260D+01
      2  -0.900879D+01  0.153946D+01 -0.689981D+01  0.156431D+01  0.419936D+01
      3  -0.284820D+01  0.299760D+01  0.390489D+01  0.351779D+01 -0.269677D+01
      4  -0.146615D+02  0.136607D+02 -0.841944D+01  0.148087D+02 -0.155802D+02
      5   0.204864D+02 -0.119940D+02  0.176384D+02 -0.134751D+02  0.140950D+02
      6  -0.112073D+02  0.113536D+02 -0.867649D+01  0.114949D+02 -0.155824D+02
               141           142           143           144           145 
      1   0.325965D+01  0.203431D+01  0.243998D+01 -0.250780D+01  0.738961D+00
      2   0.215747D+01 -0.525337D+01  0.189667D+01 -0.577952D+01 -0.263909D+01
      3  -0.541713D+01  0.321907D+01 -0.433665D+01  0.828731D+01  0.190013D+01
      4   0.991224D+01 -0.553623D+01  0.620210D+01 -0.770196D+01 -0.201633D+01
      5  -0.127057D+02  0.133981D+02 -0.881718D+01  0.133819D+02 -0.323507D+01
      6   0.138915D+02 -0.670823D+01  0.102562D+02 -0.104221D+02  0.159328D+01
               146           147           148           149           150 
      1  -0.235485D+01 -0.511120D+01 -0.339945D+01 -0.218893D+00 -0.332489D+01
      2   0.100133D+01  0.259842D+01  0.149725D+01 -0.671141D+00 -0.387872D-01
      3   0.135352D+01  0.251277D+01  0.190220D+01  0.890035D+00  0.336368D+01
      4   0.301075D+01  0.736785D+00  0.560740D+01 -0.183573D+01 -0.548082D+01
      5   0.694625D+00  0.591040D+01  0.198270D+01 -0.514460D+01 -0.626120D+01
      6   0.126138D+00  0.575074D+00 -0.160050D+01  0.348094D+01  0.841815D+01
               151           152           153           154           155 
      1  -0.678057D+01 -0.312042D+01 -0.158408D+02  0.127967D+02  0.863467D+01
      2   0.737675D+01 -0.284890D+00 -0.190287D+02 -0.366573D+01 -0.334347D+01
      3  -0.596185D+00  0.340531D+01  0.348696D+02 -0.913100D+01 -0.529121D+01
      4   0.202809D+01 -0.627246D+01 -0.665310D+01  0.916475D+01  0.144565D+02
      5   0.146496D+02 -0.616518D+01 -0.459372D+02  0.142990D+00 -0.166762D+01
      6  -0.254309D+01  0.843775D+01  0.131514D+02 -0.184296D+01 -0.262638D+01
               156           157           158           159           160 
      1   0.175014D+01  0.170326D+02  0.110282D+02 -0.105767D+01  0.561331D+01
      2  -0.523548D+00 -0.721754D+01  0.170879D+01  0.163781D+01 -0.193465D+01
      3  -0.122659D+01 -0.981505D+01 -0.127370D+02 -0.580140D+00 -0.367866D+01
      4  -0.560092D+00  0.172150D+02  0.318076D+02  0.327159D+00  0.213097D+00
      5   0.252896D+01 -0.413175D+01 -0.267981D+00  0.748216D+01  0.360227D+01
      6   0.725859D+00 -0.246220D+01 -0.736802D+01  0.229007D+01  0.104428D+01
               161           162           163           164           165 
      1   0.283905D+00 -0.166127D+00  0.480030D+02 -0.180528D+02  0.775236D+01
      2   0.335765D+00 -0.156518D+01 -0.182528D+02  0.437593D+01 -0.256552D+01
      3  -0.619670D+00  0.173131D+01 -0.297502D+02  0.136768D+02 -0.518685D+01
      4   0.275771D+01  0.347379D+01 -0.265261D+02  0.201969D+02 -0.405262D+01
      5   0.408150D+01 -0.252063D+01  0.356942D+01 -0.156567D+01  0.781649D+01
      6   0.278683D+01  0.840742D+00  0.108428D+01 -0.186930D+01 -0.146954D+01
               166           167           168           169           170 
      1  -0.244153D+02  0.142441D+02 -0.271939D+01  0.169309D+02 -0.501811D+01
      2   0.627327D+01  0.139832D+01 -0.101729D+01 -0.647009D+01 -0.162177D-01
      3   0.181420D+02 -0.156424D+02  0.373668D+01 -0.104608D+02  0.503433D+01
      4   0.257989D+02 -0.210215D+02  0.453679D+01 -0.889809D+01  0.789138D+01
      5  -0.773684D+00  0.252198D+01 -0.770365D+01  0.850511D+01 -0.581582D+01
      6  -0.166105D+01  0.506630D+00  0.294213D+01 -0.201782D+01  0.224029D+01
               171 
      1   0.440751D+01
      2  -0.318789D+01
      3  -0.121962D+01
      4  -0.654461D+01
      5   0.386088D+01
      6  -0.948739D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:41:51 2021, MaxMem=  5368709120 cpu:           18882.8 elap:            2364.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.53177 -19.47867 -14.60854 -10.58175 -10.48373
 Alpha  occ. eigenvalues --  -10.44752 -10.42567 -10.42112  -1.26416  -1.16462
 Alpha  occ. eigenvalues --   -1.04346  -0.93844  -0.85167  -0.82275  -0.74584
 Alpha  occ. eigenvalues --   -0.69200  -0.64837  -0.63149  -0.61953  -0.58934
 Alpha  occ. eigenvalues --   -0.56142  -0.54561  -0.53415  -0.52746  -0.49378
 Alpha  occ. eigenvalues --   -0.48859  -0.45564  -0.45129  -0.43780  -0.43152
 Alpha  occ. eigenvalues --   -0.40632  -0.36360
 Alpha virt. eigenvalues --   -0.01305  -0.00226  -0.00073   0.00366   0.01756
 Alpha virt. eigenvalues --    0.02201   0.02313   0.02967   0.03287   0.04756
 Alpha virt. eigenvalues --    0.05595   0.06084   0.07196   0.08049   0.08483
 Alpha virt. eigenvalues --    0.09203   0.09426   0.11009   0.11098   0.11641
 Alpha virt. eigenvalues --    0.12119   0.12746   0.13195   0.13386   0.14471
 Alpha virt. eigenvalues --    0.15006   0.15127   0.15621   0.16610   0.16752
 Alpha virt. eigenvalues --    0.17885   0.18917   0.19343   0.20380   0.21832
 Alpha virt. eigenvalues --    0.22465   0.22780   0.23265   0.24121   0.26260
 Alpha virt. eigenvalues --    0.26913   0.27271   0.27792   0.28475   0.29844
 Alpha virt. eigenvalues --    0.30209   0.30625   0.30882   0.31247   0.31849
 Alpha virt. eigenvalues --    0.32830   0.33185   0.34370   0.36221   0.37002
 Alpha virt. eigenvalues --    0.37942   0.38200   0.38854   0.39425   0.40170
 Alpha virt. eigenvalues --    0.41023   0.41120   0.41839   0.43036   0.43173
 Alpha virt. eigenvalues --    0.44183   0.44415   0.45719   0.45939   0.46493
 Alpha virt. eigenvalues --    0.48076   0.48891   0.49641   0.50756   0.50897
 Alpha virt. eigenvalues --    0.51643   0.52005   0.52525   0.52790   0.53813
 Alpha virt. eigenvalues --    0.54280   0.55092   0.55678   0.56045   0.57634
 Alpha virt. eigenvalues --    0.58947   0.59849   0.60545   0.60912   0.61189
 Alpha virt. eigenvalues --    0.62603   0.63647   0.64232   0.65645   0.66031
 Alpha virt. eigenvalues --    0.66703   0.67690   0.68414   0.69559   0.69788
 Alpha virt. eigenvalues --    0.70575   0.71217   0.72342   0.73855   0.75002
 Alpha virt. eigenvalues --    0.75515   0.75703   0.77599   0.78798   0.79959
 Alpha virt. eigenvalues --    0.80555   0.81750   0.82410   0.83040   0.84206
 Alpha virt. eigenvalues --    0.86014   0.86583   0.87461   0.88457   0.90549
 Alpha virt. eigenvalues --    0.91863   0.92607   0.93610   0.96057   0.96964
 Alpha virt. eigenvalues --    0.97859   0.99826   1.00045   1.01864   1.03456
 Alpha virt. eigenvalues --    1.05299   1.07084   1.09374   1.09790   1.10389
 Alpha virt. eigenvalues --    1.13564   1.14822   1.15525   1.16387   1.18526
 Alpha virt. eigenvalues --    1.19461   1.20863   1.22025   1.23353   1.24740
 Alpha virt. eigenvalues --    1.29507   1.29909   1.31514   1.32727   1.35284
 Alpha virt. eigenvalues --    1.36521   1.40418   1.41807   1.43828   1.45497
 Alpha virt. eigenvalues --    1.46653   1.48278   1.50556   1.53691   1.56199
 Alpha virt. eigenvalues --    1.59503   1.60149   1.62577   1.64456   1.66647
 Alpha virt. eigenvalues --    1.67372   1.69063   1.73148   1.73437   1.75665
 Alpha virt. eigenvalues --    1.76969   1.77495   1.80270   1.82686   1.85156
 Alpha virt. eigenvalues --    1.85750   1.87453   1.88699   1.89734   1.91239
 Alpha virt. eigenvalues --    1.92960   1.94567   1.95355   1.96967   1.98753
 Alpha virt. eigenvalues --    1.99666   2.02107   2.03254   2.05556   2.08223
 Alpha virt. eigenvalues --    2.09296   2.10789   2.12833   2.13427   2.14001
 Alpha virt. eigenvalues --    2.16652   2.17738   2.19509   2.21148   2.22006
 Alpha virt. eigenvalues --    2.24134   2.25482   2.27868   2.29256   2.29923
 Alpha virt. eigenvalues --    2.32164   2.34265   2.34581   2.36316   2.39675
 Alpha virt. eigenvalues --    2.40604   2.41997   2.44511   2.47924   2.51986
 Alpha virt. eigenvalues --    2.54480   2.55365   2.57888   2.59597   2.60812
 Alpha virt. eigenvalues --    2.63709   2.65926   2.68232   2.70802   2.72540
 Alpha virt. eigenvalues --    2.76774   2.78271   2.80159   2.83757   2.88328
 Alpha virt. eigenvalues --    2.93213   2.95444   2.98625   3.00432   3.07337
 Alpha virt. eigenvalues --    3.14745   3.16498   3.32582   3.40417   3.44591
 Alpha virt. eigenvalues --    3.46881   3.48114   3.49194   3.49703   3.50108
 Alpha virt. eigenvalues --    3.54642   3.59727   3.70407   3.76462   3.88013
 Alpha virt. eigenvalues --    4.07576
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.350488  -0.513847   0.231850  -0.164162   0.011092  -0.258111
     2  C   -0.513847  10.354952  -1.357788   0.307497   0.053951  -0.556134
     3  C    0.231850  -1.357788  12.815414  -3.054861  -0.186258  -0.751452
     4  C   -0.164162   0.307497  -3.054861   7.694381   0.331968   0.103289
     5  O    0.011092   0.053951  -0.186258   0.331968   7.871261   0.013119
     6  C   -0.258111  -0.556134  -0.751452   0.103289   0.013119   5.076234
     7  N   -0.029519  -0.550001  -0.727667   0.314275   0.017935   0.290008
     8  O    0.008622   0.011310  -0.077564   0.634307  -0.026870   0.010042
     9  H   -0.099991   0.256842  -1.566847   0.072150  -0.041838   0.181571
    10  H    0.067159  -2.121564   0.251585  -0.042169  -0.048561   0.316245
    11  H   -0.003417  -0.013237   0.088562  -0.144728   0.310655  -0.002791
    12  H   -0.035780   0.158081   0.224752  -0.066357   0.000611  -0.052597
    13  H    0.020336  -0.058032  -0.098696  -0.092728  -0.003531   0.023611
    14  H   -0.133019  -0.249163   0.097929   0.031096  -0.010312   0.338879
    15  H   -0.102358   0.236973  -0.287535   0.037275   0.000593   0.224402
    16  H    0.133574   0.051002  -0.000207   0.014105   0.004822   0.078479
    17  H   -0.080870   0.421669  -0.207933   0.073084   0.003241   0.003952
    18  H    0.536230  -0.322536  -0.077694   0.022904   0.000339  -0.063165
    19  H    0.064176   0.165816   0.182252  -0.055414  -0.000658  -0.014015
               7          8          9         10         11         12
     1  C   -0.029519   0.008622  -0.099991   0.067159  -0.003417  -0.035780
     2  C   -0.550001   0.011310   0.256842  -2.121564  -0.013237   0.158081
     3  C   -0.727667  -0.077564  -1.566847   0.251585   0.088562   0.224752
     4  C    0.314275   0.634307   0.072150  -0.042169  -0.144728  -0.066357
     5  O    0.017935  -0.026870  -0.041838  -0.048561   0.310655   0.000611
     6  C    0.290008   0.010042   0.181571   0.316245  -0.002791  -0.052597
     7  N    6.591856   0.016419   0.280918   0.117223  -0.000480   0.055371
     8  O    0.016419   7.711851  -0.033375  -0.009750  -0.031462   0.000694
     9  H    0.280918  -0.033375   2.393239   0.039587   0.016456  -0.102348
    10  H    0.117223  -0.009750   0.039587   3.059662   0.005760  -0.000978
    11  H   -0.000480  -0.031462   0.016456   0.005760   0.562394  -0.000449
    12  H    0.055371   0.000694  -0.102348  -0.000978  -0.000449   1.008828
    13  H    0.319055  -0.004338   0.074473   0.004752  -0.000806  -0.143990
    14  H   -0.067221  -0.007104   0.010090   0.116452   0.000408  -0.000259
    15  H    0.065119   0.003305   0.013687  -0.007510   0.002053  -0.000795
    16  H    0.009490  -0.002159   0.010745  -0.089584   0.000100  -0.001278
    17  H    0.086448  -0.000471  -0.053894  -0.093579   0.000809  -0.001881
    18  H   -0.003109   0.001830   0.015821   0.133401   0.000675  -0.010050
    19  H   -0.029606   0.000283   0.014964  -0.090174  -0.001328   0.003279
              13         14         15         16         17         18
     1  C    0.020336  -0.133019  -0.102358   0.133574  -0.080870   0.536230
     2  C   -0.058032  -0.249163   0.236973   0.051002   0.421669  -0.322536
     3  C   -0.098696   0.097929  -0.287535  -0.000207  -0.207933  -0.077694
     4  C   -0.092728   0.031096   0.037275   0.014105   0.073084   0.022904
     5  O   -0.003531  -0.010312   0.000593   0.004822   0.003241   0.000339
     6  C    0.023611   0.338879   0.224402   0.078479   0.003952  -0.063165
     7  N    0.319055  -0.067221   0.065119   0.009490   0.086448  -0.003109
     8  O   -0.004338  -0.007104   0.003305  -0.002159  -0.000471   0.001830
     9  H    0.074473   0.010090   0.013687   0.010745  -0.053894   0.015821
    10  H    0.004752   0.116452  -0.007510  -0.089584  -0.093579   0.133401
    11  H   -0.000806   0.000408   0.002053   0.000100   0.000809   0.000675
    12  H   -0.143990  -0.000259  -0.000795  -0.001278  -0.001881  -0.010050
    13  H    0.925873   0.004048   0.001793   0.002268   0.001698   0.009908
    14  H    0.004048   1.854422  -0.291806  -0.475373   0.001837  -0.017289
    15  H    0.001793  -0.291806   1.808284  -0.472209  -0.016844   0.004120
    16  H    0.002268  -0.475373  -0.472209   1.944107   0.027892  -0.003728
    17  H    0.001698   0.001837  -0.016844   0.027892   1.787471  -0.351116
    18  H    0.009908  -0.017289   0.004120  -0.003728  -0.351116   1.696456
    19  H   -0.005761  -0.019356   0.012633  -0.025841  -0.426198  -0.423450
              19
     1  C    0.064176
     2  C    0.165816
     3  C    0.182252
     4  C   -0.055414
     5  O   -0.000658
     6  C   -0.014015
     7  N   -0.029606
     8  O    0.000283
     9  H    0.014964
    10  H   -0.090174
    11  H   -0.001328
    12  H    0.003279
    13  H   -0.005761
    14  H   -0.019356
    15  H    0.012633
    16  H   -0.025841
    17  H   -0.426198
    18  H   -0.423450
    19  H    1.790525
 Mulliken charges:
               1
     1  C    0.997548
     2  C   -0.275792
     3  C    0.502156
     4  C   -0.015909
     5  O   -0.301562
     6  C    1.038435
     7  N    0.243488
     8  O   -0.205569
     9  H   -0.482249
    10  H   -0.607956
    11  H    0.210827
    12  H   -0.034854
    13  H    0.020068
    14  H   -0.184257
    15  H   -0.231180
    16  H   -0.206206
    17  H   -0.175314
    18  H   -0.149547
    19  H   -0.142127
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.530560
     2  C   -0.883749
     3  C    0.019908
     4  C   -0.015909
     5  O   -0.090735
     6  C    0.416791
     7  N    0.228703
     8  O   -0.205569
 Electronic spatial extent (au):  <R**2>=           1049.9547
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.2077    Y=             -1.1267    Z=             -0.8439  Tot=              1.4229
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -50.7150   YY=            -48.8325   ZZ=            -49.9954
   XY=              1.5124   XZ=              3.2951   YZ=             -2.1190
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.8674   YY=              1.0151   ZZ=             -0.1478
   XY=              1.5124   XZ=              3.2951   YZ=             -2.1190
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -23.7078  YYY=              2.7459  ZZZ=             -4.1473  XYY=            -14.4863
  XXY=            -20.0772  XXZ=             -5.3017  XZZ=             -1.6780  YZZ=              3.3942
  YYZ=              1.1958  XYZ=              5.1884
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -755.4834 YYYY=           -293.3650 ZZZZ=           -266.9912 XXXY=             51.9527
 XXXZ=             23.6096 YYYX=             -0.1377 YYYZ=             -1.7488 ZZZX=             -0.6642
 ZZZY=             -0.3933 XXYY=           -168.4056 XXZZ=           -185.7214 YYZZ=            -92.3097
 XXYZ=             -5.6148 YYXZ=              5.4943 ZZXY=             -1.4213
 N-N= 4.078503088607D+02 E-N=-1.754348717819D+03  KE= 3.994003596098D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:41:51 2021, MaxMem=  5368709120 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.09422957D-01-4.00661973D-01-3.20379229D-01
 Polarizability= 8.17941946D+01 2.44033481D-02 7.23061945D+01
                -2.39603674D+00 1.78836517D+00 6.98361564D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.3530    1.3538        0.0526    0.0508
 2     -1.3530   -1.3538       -0.9355   -0.9271       -5.2546   -5.2607
 3     -0.0526   -0.0508        6.5171    6.5273        0.9331    0.9271
 4      0.9355    0.9271       -0.0000    0.0000       -0.0587   -0.0508
 5     -1.2625   -1.2667        0.0587    0.0508        1.3578    1.3538
 6     -0.9331   -0.9271       -1.3578   -1.3538       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -4.0613   -4.0613        0.1523    0.1523
 2      2.7814    2.7814        0.0000    0.0000        0.1523    0.1523
 3      2.7814    2.7814       -4.0613   -4.0613       -0.0000    0.0000
 4     -4.0613   -4.0613       -2.7814   -2.7814      -15.7821  -15.7821
 5     -0.1523   -0.1523       19.5820   19.5820        2.7814    2.7814
 6     -3.8000   -3.8000        0.1523    0.1523        4.0613    4.0613
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0451    0.0000       -5.6046   -5.4150       -0.4371   -0.2031
 2      5.2964    5.4150        3.7261    3.7085       20.8921   21.0428
 3      0.6427    0.2031      -26.1771  -26.1094       -3.7222   -3.7085
 4     -3.3990   -3.7085        0.0875    0.0000       -0.0609    0.2031
 5      5.0854    5.0666       -0.6294   -0.2031       -5.6440   -5.4150
 6      3.7771    3.7085        5.5411    5.4150       -0.0123    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0163    0.0000        6.7215    6.9074       -6.9721   -6.6727
 2     -6.4850   -6.9074        8.6917    8.1823        9.1277    8.9197
 3      6.1778    6.6727       17.6320   17.6452       -8.7341   -8.1823
 4     -8.2663   -8.1823       -0.1652    0.0000        6.6220    6.6727
 5    -27.2255  -26.5649       -6.4213   -6.6727        7.0795    6.9074
 6      8.3428    8.1823       -6.6806   -6.9074        0.4453    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -7.4457   -7.4525       17.3800   17.5291       12.9613   12.3321
 2    -25.8874  -25.9110       25.4881   25.8952       12.2872   12.3321
 3    -26.1013  -25.9110       17.1870   17.5291       17.2462   17.0549
 4     -7.9193   -8.3661       18.5032   18.4585       19.5106   19.5132
 5      4.0622    4.7228       32.8942   32.5259      -19.1288  -18.4585
 6    -53.0147  -52.0390       -3.8262   -4.7228        8.8638    8.3661
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.0707   -4.1717   -0.0009   -0.0008   -0.0007    4.2328
 Low frequencies ---   52.1256   82.8422  177.1609
 Diagonal vibrational polarizability:
       16.6796095      21.0953530      40.8895042
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     52.1220                82.8409               177.1609
 Red. masses --      5.5843                 3.4155                 3.3672
 Frc consts  --      0.0089                 0.0138                 0.0623
 IR Inten    --      1.1327                 0.6329                 0.1603
 RamAct Fr= 1--      0.8591                 0.4436                 0.4740
  Dep-P Fr= 1--      0.7468                 0.7479                 0.6785
  Dep-U Fr= 1--      0.8550                 0.8558                 0.8084
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0006
 Beta2  Fr= 1--      0.1224                 0.0633                 0.0639
 AlphaG Fr= 1--     -0.0004                -0.0001                 0.0005
 Gamma2 Fr= 1--     -0.1458                 0.1952                 0.2258
 Delta2 Fr= 1--     -0.1967                 0.1715                 0.0939
 Raman1 Fr= 1--       3.436                  1.774                  1.896
 ROA1   Fr= 1--     -20.293                 24.226                 24.677
 CID1   Fr= 1--      -5.905                 13.654                 13.015
 Raman2 Fr= 1--       1.469                  0.759                  0.766
 ROA2   Fr= 1--      -1.926                  3.312                  4.667
 CID2   Fr= 1--      -1.311                  4.363                  6.090
 Raman3 Fr= 1--       2.938                  1.518                  1.533
 ROA3   Fr= 1--     -20.293                 24.226                 24.677
 CID3   Fr= 1--      -6.907                 15.955                 16.099
 RC180  Fr= 1--       0.710                  0.712                  0.617
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.12  -0.01    -0.07  -0.16  -0.13    -0.04  -0.15   0.01
     2   6     0.01  -0.02  -0.10    -0.01   0.00   0.04    -0.10   0.04  -0.06
     3   6    -0.00   0.03   0.00     0.00   0.04   0.08    -0.01   0.14  -0.07
     4   6    -0.01   0.04   0.01    -0.03   0.00  -0.03     0.06   0.02  -0.00
     5   8     0.14  -0.14   0.30     0.09  -0.04  -0.02     0.19  -0.05   0.05
     6   6    -0.06  -0.23  -0.07     0.16   0.13   0.01    -0.20   0.03  -0.05
     7   7     0.03   0.01   0.06    -0.00   0.02   0.19     0.01   0.12  -0.01
     8   8    -0.13   0.21  -0.22    -0.15   0.01  -0.14     0.06  -0.10   0.09
     9   1    -0.05   0.09  -0.01     0.03   0.12   0.07    -0.03   0.18  -0.08
    10   1     0.04   0.00  -0.25    -0.11   0.01   0.17    -0.21   0.08  -0.07
    11   1     0.11  -0.09   0.26     0.04  -0.05  -0.12     0.27  -0.19   0.14
    12   1     0.01   0.05   0.11    -0.03   0.07   0.26    -0.06   0.16   0.08
    13   1     0.06  -0.02   0.08     0.02  -0.06   0.22     0.12   0.06   0.04
    14   1    -0.13  -0.25   0.10     0.33   0.11  -0.12     0.00  -0.05  -0.03
    15   1    -0.07  -0.37  -0.13     0.18   0.32   0.12    -0.28   0.25  -0.14
    16   1    -0.03  -0.25  -0.14     0.09   0.06   0.02    -0.40  -0.13   0.03
    17   1     0.06   0.31  -0.05    -0.19  -0.32  -0.09    -0.02  -0.15   0.01
    18   1     0.01   0.10   0.17    -0.00  -0.16  -0.31     0.13  -0.20   0.02
    19   1     0.02   0.05  -0.11    -0.05  -0.14  -0.11    -0.16  -0.27   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    185.3957               217.8623               256.6939
 Red. masses --      1.1142                 1.1045                 1.2139
 Frc consts  --      0.0226                 0.0309                 0.0471
 IR Inten    --     38.0562                 0.8827                 2.7907
 RamAct Fr= 1--      0.0862                 0.0569                 0.0892
  Dep-P Fr= 1--      0.7464                 0.1453                 0.7169
  Dep-U Fr= 1--      0.8548                 0.2537                 0.8351
 Alpha2 Fr= 1--      0.0000                 0.0009                 0.0001
 Beta2  Fr= 1--      0.0123                 0.0024                 0.0124
 AlphaG Fr= 1--      0.0002                -0.0006                 0.0011
 Gamma2 Fr= 1--     -0.0704                -0.0020                -0.0196
 Delta2 Fr= 1--      0.0670                -0.0250                 0.0490
 Raman1 Fr= 1--       0.345                  0.227                  0.357
 ROA1   Fr= 1--      -4.612                 -0.993                 -0.312
 CID1   Fr= 1--     -13.384                 -4.366                 -0.874
 Raman2 Fr= 1--       0.147                  0.029                  0.149
 ROA2   Fr= 1--      -2.225                  0.152                 -0.862
 CID2   Fr= 1--     -15.108                  5.272                 -5.782
 Raman3 Fr= 1--       0.295                  0.058                  0.298
 ROA3   Fr= 1--      -4.612                 -0.993                 -0.312
 CID3   Fr= 1--     -15.659                -17.210                 -1.047
 RC180  Fr= 1--       0.710                 -0.493                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.02    -0.00  -0.04   0.01     0.04   0.02   0.03
     2   6     0.01   0.02   0.00    -0.00   0.01   0.02     0.02   0.00  -0.02
     3   6    -0.01  -0.01   0.00    -0.00   0.01   0.02     0.00  -0.02  -0.02
     4   6    -0.01  -0.01   0.01    -0.01   0.00   0.01    -0.00  -0.02  -0.02
     5   8    -0.02   0.00  -0.01     0.02   0.00  -0.02    -0.06  -0.02   0.02
     6   6     0.01  -0.00   0.01     0.03   0.01   0.02     0.02   0.03  -0.03
     7   7     0.02  -0.01  -0.07    -0.01   0.02  -0.04    -0.04  -0.02   0.04
     8   8    -0.02  -0.00  -0.00    -0.03  -0.01   0.00     0.03   0.01  -0.01
     9   1    -0.03  -0.03   0.00    -0.01  -0.02   0.02     0.01   0.01  -0.02
    10   1     0.02   0.02   0.00    -0.02   0.02   0.02     0.03  -0.00  -0.03
    11   1    -0.03   0.02  -0.03     0.01  -0.01  -0.04    -0.05   0.03   0.05
    12   1    -0.52  -0.02   0.37    -0.06  -0.01  -0.02     0.11  -0.01  -0.07
    13   1     0.65  -0.12   0.17     0.06   0.05  -0.03    -0.26  -0.03  -0.02
    14   1     0.20  -0.08   0.04    -0.15   0.08   0.02     0.46  -0.11  -0.09
    15   1    -0.02   0.16  -0.00     0.09  -0.19   0.06    -0.07   0.50  -0.05
    16   1    -0.12  -0.14   0.02     0.20   0.15  -0.03    -0.32  -0.28   0.05
    17   1     0.03   0.04   0.02    -0.14   0.44  -0.07     0.04   0.28  -0.02
    18   1     0.03   0.02   0.03     0.30  -0.18   0.41     0.15  -0.05   0.28
    19   1     0.01   0.01   0.02    -0.15  -0.43  -0.34    -0.03  -0.16  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    259.4070               293.4039               342.7100
 Red. masses --      2.2903                 2.8466                 3.2790
 Frc consts  --      0.0908                 0.1444                 0.2269
 IR Inten    --      1.8722                 5.6278                 7.9590
 RamAct Fr= 1--      0.2265                 0.3079                 1.4165
  Dep-P Fr= 1--      0.2042                 0.3906                 0.3151
  Dep-U Fr= 1--      0.3391                 0.5617                 0.4792
 Alpha2 Fr= 1--      0.0030                 0.0024                 0.0139
 Beta2  Fr= 1--      0.0128                 0.0288                 0.1131
 AlphaG Fr= 1--     -0.0059                -0.0010                -0.0015
 Gamma2 Fr= 1--     -0.1567                 0.1255                -0.0267
 Delta2 Fr= 1--     -0.0599                 0.1028                -0.0981
 Raman1 Fr= 1--       0.906                  1.232                  5.666
 ROA1   Fr= 1--     -16.965                 15.340                 -5.700
 CID1   Fr= 1--     -18.726                 12.456                 -1.006
 Raman2 Fr= 1--       0.154                  0.346                  1.358
 ROA2   Fr= 1--      -3.282                  2.190                  0.144
 CID2   Fr= 1--     -21.367                  6.330                  0.106
 Raman3 Fr= 1--       0.307                  0.692                  2.715
 ROA3   Fr= 1--     -16.965                 15.340                 -5.700
 CID3   Fr= 1--     -55.221                 22.173                 -2.099
 RC180  Fr= 1--      -0.322                  0.123                 -0.042
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.01   0.00    -0.13   0.14  -0.06    -0.18   0.05  -0.11
     2   6     0.02  -0.01  -0.07    -0.05  -0.05   0.02    -0.03   0.00   0.12
     3   6     0.01  -0.03  -0.06    -0.01  -0.05   0.02     0.04  -0.03  -0.01
     4   6     0.01  -0.03  -0.04    -0.02   0.00   0.02     0.10  -0.02  -0.09
     5   8    -0.09  -0.03   0.04     0.04  -0.01  -0.01     0.03  -0.02  -0.02
     6   6    -0.10   0.15  -0.08    -0.08   0.08   0.01    -0.05  -0.04   0.15
     7   7     0.01  -0.07   0.16     0.26  -0.11   0.01    -0.11  -0.01   0.02
     8   8     0.09   0.03  -0.02    -0.05  -0.05   0.02     0.22   0.08  -0.06
     9   1     0.01   0.09  -0.08    -0.04  -0.06   0.02     0.19  -0.06  -0.00
    10   1     0.06  -0.04  -0.02     0.02  -0.07   0.05    -0.04  -0.00   0.14
    11   1    -0.08   0.05   0.10     0.05  -0.07  -0.03     0.05   0.01   0.04
    12   1    -0.13   0.03   0.37     0.49   0.03  -0.06    -0.32  -0.08   0.13
    13   1     0.12  -0.29   0.24     0.26  -0.00  -0.02    -0.07  -0.13   0.06
    14   1    -0.43   0.28  -0.16     0.02   0.07  -0.09    -0.02  -0.08   0.23
    15   1    -0.08  -0.10  -0.12    -0.13   0.26  -0.02    -0.07  -0.04   0.10
    16   1     0.10   0.42   0.04    -0.19   0.05   0.13    -0.09  -0.11   0.13
    17   1     0.11   0.06  -0.01    -0.26   0.35  -0.09    -0.50   0.15  -0.11
    18   1     0.10  -0.04   0.09    -0.20   0.14   0.09    -0.17   0.05  -0.12
    19   1     0.01  -0.08   0.00    -0.03   0.12  -0.29    -0.05   0.02  -0.40
                     10                     11                     12
                      A                      A                      A
 Frequencies --    396.0426               440.6555               570.6859
 Red. masses --      2.4307                 3.7985                 1.7697
 Frc consts  --      0.2246                 0.4346                 0.3396
 IR Inten    --      1.3089                16.4141                40.2788
 RamAct Fr= 1--      0.6678                 2.4435                 1.5161
  Dep-P Fr= 1--      0.3169                 0.1865                 0.2385
  Dep-U Fr= 1--      0.4812                 0.3143                 0.3852
 Alpha2 Fr= 1--      0.0065                 0.0344                 0.0186
 Beta2  Fr= 1--      0.0536                 0.1280                 0.0973
 AlphaG Fr= 1--     -0.0154                 0.0017                -0.0103
 Gamma2 Fr= 1--      0.2426                 0.1476                -0.8589
 Delta2 Fr= 1--     -0.0385                -0.0708                 0.0787
 Raman1 Fr= 1--       2.671                  9.774                  6.064
 ROA1   Fr= 1--      22.060                 11.900                -79.937
 CID1   Fr= 1--       8.258                  1.218                -13.181
 Raman2 Fr= 1--       0.643                  1.536                  1.168
 ROA2   Fr= 1--       6.131                  4.108                -21.244
 CID2   Fr= 1--       9.538                  2.674                -18.191
 Raman3 Fr= 1--       1.285                  3.072                  2.336
 ROA3   Fr= 1--      22.060                 11.900                -79.937
 CID3   Fr= 1--      17.161                  3.873                -34.224
 RC180  Fr= 1--      -0.038                 -0.371                 -0.230
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.03   0.16    -0.04   0.01   0.07     0.06   0.00  -0.03
     2   6    -0.16  -0.02  -0.00    -0.05  -0.17  -0.06     0.04   0.05   0.02
     3   6    -0.06   0.05  -0.10    -0.04  -0.12   0.04    -0.05  -0.03  -0.09
     4   6    -0.02   0.02  -0.11     0.04   0.06   0.12    -0.09   0.09  -0.06
     5   8    -0.01  -0.05   0.01     0.23   0.12  -0.07     0.03   0.06  -0.03
     6   6     0.15  -0.01  -0.03     0.00   0.04  -0.11     0.01  -0.00   0.06
     7   7     0.05   0.00   0.01    -0.14  -0.12  -0.00    -0.02  -0.10   0.01
     8   8     0.08  -0.01  -0.01    -0.00   0.13   0.05    -0.04   0.02   0.05
     9   1     0.04   0.07  -0.10    -0.18  -0.14   0.04    -0.00  -0.07  -0.08
    10   1    -0.18  -0.01   0.01    -0.02  -0.17  -0.05     0.11   0.02   0.06
    11   1     0.10  -0.13   0.21     0.15  -0.06  -0.37     0.44  -0.51   0.56
    12   1     0.07   0.11   0.09    -0.30  -0.22   0.03     0.05   0.01   0.07
    13   1     0.10  -0.08   0.05    -0.14  -0.16   0.00    -0.07  -0.22   0.03
    14   1     0.20   0.00  -0.16     0.02   0.09  -0.37     0.01  -0.04   0.19
    15   1     0.33  -0.06   0.28     0.03   0.17  -0.01    -0.01  -0.06   0.01
    16   1     0.33   0.03  -0.29     0.03   0.14   0.01    -0.02  -0.06   0.01
    17   1     0.09   0.06   0.14     0.12   0.13   0.03     0.01  -0.05  -0.02
    18   1    -0.22   0.04   0.26    -0.22   0.04   0.23     0.16  -0.02  -0.09
    19   1    -0.14   0.08   0.28     0.01   0.09   0.10     0.02  -0.06  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    609.4360               656.4943               717.4688
 Red. masses --      1.9777                 2.7922                 3.1937
 Frc consts  --      0.4328                 0.7090                 0.9686
 IR Inten    --     41.0083                26.8780                27.8350
 RamAct Fr= 1--      1.0330                 2.2799                14.5994
  Dep-P Fr= 1--      0.7178                 0.5725                 0.0210
  Dep-U Fr= 1--      0.8357                 0.7282                 0.0411
 Alpha2 Fr= 1--      0.0006                 0.0076                 0.3089
 Beta2  Fr= 1--      0.1439                 0.2767                 0.1000
 AlphaG Fr= 1--     -0.0031                -0.0269                 0.1462
 Gamma2 Fr= 1--     -0.0901                -0.4806                -0.3138
 Delta2 Fr= 1--      0.2976                 0.0762                 0.0388
 Raman1 Fr= 1--       4.132                  9.119                 58.397
 ROA1   Fr= 1--       0.873                -43.702                -28.885
 CID1   Fr= 1--       0.211                 -4.792                 -0.495
 Raman2 Fr= 1--       1.727                  3.320                  1.199
 ROA2   Fr= 1--      -4.543                -12.145                 -7.841
 CID2   Fr= 1--      -2.631                 -3.658                 -6.538
 Raman3 Fr= 1--       3.453                  6.640                  2.399
 ROA3   Fr= 1--       0.873                -43.702                -28.885
 CID3   Fr= 1--       0.253                 -6.581                -12.041
 RC180  Fr= 1--       0.671                  0.456                 -0.918
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.00    -0.01   0.00  -0.00    -0.10   0.01   0.05
     2   6    -0.04   0.19  -0.01     0.00  -0.01   0.02    -0.05   0.17  -0.03
     3   6    -0.09  -0.02  -0.05     0.06  -0.01  -0.19     0.07  -0.05   0.07
     4   6    -0.03  -0.04   0.05     0.05   0.11  -0.09     0.21  -0.09   0.12
     5   8     0.05  -0.06  -0.02     0.05   0.12   0.15    -0.04   0.14  -0.00
     6   6     0.01   0.01   0.02     0.01  -0.00   0.05    -0.02   0.02  -0.10
     7   7     0.02  -0.11   0.01    -0.03  -0.07   0.00     0.01  -0.09   0.00
     8   8     0.04   0.07   0.03    -0.09  -0.15   0.01    -0.03  -0.07  -0.12
     9   1    -0.16  -0.05  -0.04     0.12  -0.03  -0.18    -0.07  -0.12   0.08
    10   1     0.04   0.15   0.04     0.02  -0.02   0.06    -0.03   0.16  -0.02
    11   1    -0.26   0.12  -0.62    -0.28   0.68  -0.26     0.24   0.08   0.60
    12   1     0.22   0.06   0.01    -0.07   0.01   0.11    -0.03  -0.17  -0.04
    13   1     0.00  -0.12   0.01    -0.20  -0.34   0.02    -0.07  -0.06  -0.03
    14   1     0.06  -0.08   0.28     0.04  -0.02   0.09     0.04  -0.05   0.11
    15   1     0.04  -0.12   0.04     0.03  -0.04   0.08     0.02  -0.09  -0.06
    16   1    -0.00  -0.14  -0.23     0.02  -0.03  -0.02    -0.01  -0.10  -0.33
    17   1     0.02  -0.13   0.02    -0.06   0.02  -0.00    -0.08  -0.11   0.07
    18   1     0.25  -0.05  -0.10    -0.03   0.01  -0.00     0.10  -0.04  -0.03
    19   1    -0.17  -0.13   0.11     0.03   0.02  -0.06    -0.28  -0.11   0.17
                     16                     17                     18
                      A                      A                      A
 Frequencies --    837.6970               844.6302               911.1664
 Red. masses --      3.1109                 2.1743                 1.9172
 Frc consts  --      1.2862                 0.9139                 0.9378
 IR Inten    --      9.1368               105.1757                45.4285
 RamAct Fr= 1--      5.8780                 1.8613                 2.5508
  Dep-P Fr= 1--      0.0684                 0.4606                 0.7499
  Dep-U Fr= 1--      0.1281                 0.6307                 0.8571
 Alpha2 Fr= 1--      0.1111                 0.0109                 0.0000
 Beta2  Fr= 1--      0.1255                 0.1957                 0.3644
 AlphaG Fr= 1--     -0.0320                -0.0112                -0.0000
 Gamma2 Fr= 1--     -0.2459                -0.1115                 0.8835
 Delta2 Fr= 1--     -0.2945                 0.4023                 0.9557
 Raman1 Fr= 1--      23.512                  7.445                 10.203
 ROA1   Fr= 1--     -33.033                  2.164                115.393
 CID1   Fr= 1--      -1.405                  0.291                 11.310
 Raman2 Fr= 1--       1.506                  2.348                  4.372
 ROA2   Fr= 1--      -3.546                 -5.895                 13.557
 CID2   Fr= 1--      -2.355                 -2.511                  3.101
 Raman3 Fr= 1--       3.012                  4.696                  8.745
 ROA3   Fr= 1--     -33.033                  2.164                115.393
 CID3   Fr= 1--     -10.966                  0.461                 13.195
 RC180  Fr= 1--      -0.744                  0.261                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.03  -0.05     0.05   0.01  -0.04    -0.08  -0.05   0.09
     2   6    -0.04  -0.09  -0.07    -0.02  -0.02  -0.01     0.13  -0.00   0.06
     3   6    -0.10   0.06  -0.17    -0.14   0.04   0.13     0.06   0.05  -0.09
     4   6     0.14  -0.13   0.19     0.03   0.04  -0.11     0.01  -0.02   0.06
     5   8    -0.02   0.04  -0.04     0.02   0.05   0.04    -0.01  -0.01  -0.02
     6   6    -0.00   0.00   0.19     0.00  -0.01   0.02     0.04   0.01  -0.10
     7   7    -0.01   0.04   0.00    -0.11  -0.11  -0.01    -0.10  -0.04  -0.00
     8   8    -0.02   0.02  -0.07     0.06  -0.06  -0.05    -0.03   0.03   0.01
     9   1    -0.45   0.11  -0.18    -0.09   0.08   0.12     0.08   0.05  -0.09
    10   1    -0.11  -0.07  -0.00    -0.01  -0.01  -0.05     0.03   0.00   0.18
    11   1     0.07  -0.01   0.13     0.00   0.28   0.13    -0.00  -0.09  -0.04
    12   1     0.23   0.35   0.09     0.44   0.17  -0.16     0.41   0.36  -0.02
    13   1     0.05  -0.11   0.05     0.58   0.37   0.07     0.36   0.04   0.10
    14   1     0.04   0.01   0.09    -0.02   0.02  -0.06    -0.06  -0.02   0.13
    15   1     0.07   0.04   0.35    -0.01   0.05   0.02    -0.09  -0.10  -0.38
    16   1     0.06   0.04   0.15     0.01   0.05   0.12    -0.08  -0.06   0.00
    17   1     0.18   0.14  -0.09     0.14  -0.01  -0.04    -0.32   0.04   0.09
    18   1    -0.17   0.03   0.09     0.09  -0.01  -0.01    -0.26   0.01   0.05
    19   1     0.21   0.11  -0.09    -0.01  -0.02   0.04     0.14   0.07  -0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    941.0997               960.0255               978.1314
 Red. masses --      1.2075                 2.0674                 1.7240
 Frc consts  --      0.6301                 1.1227                 0.9718
 IR Inten    --      6.8293                17.1140                 6.3616
 RamAct Fr= 1--      0.4574                 5.7187                 2.3286
  Dep-P Fr= 1--      0.3395                 0.7004                 0.7025
  Dep-U Fr= 1--      0.5069                 0.8238                 0.8252
 Alpha2 Fr= 1--      0.0042                 0.0049                 0.0019
 Beta2  Fr= 1--      0.0386                 0.7852                 0.3203
 AlphaG Fr= 1--     -0.0082                -0.0096                -0.0069
 Gamma2 Fr= 1--      0.0509                -0.6148                 0.4854
 Delta2 Fr= 1--      0.1392                -0.1578                 0.1740
 Raman1 Fr= 1--       1.830                 22.875                  9.314
 ROA1   Fr= 1--       9.338                -64.071                 52.171
 CID1   Fr= 1--       5.104                 -2.801                  5.601
 Raman2 Fr= 1--       0.464                  9.422                  3.843
 ROA2   Fr= 1--       0.108                -13.494                 10.259
 CID2   Fr= 1--       0.233                 -1.432                  2.669
 Raman3 Fr= 1--       0.928                 18.844                  7.686
 ROA3   Fr= 1--       9.338                -64.071                 52.171
 CID3   Fr= 1--      10.068                 -3.400                  6.787
 RC180  Fr= 1--       0.014                  0.648                  0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.05  -0.05     0.08  -0.03  -0.06    -0.12   0.03  -0.04
     2   6     0.01  -0.00  -0.03    -0.11   0.03  -0.01     0.02   0.02  -0.10
     3   6    -0.03  -0.02   0.03     0.20   0.04   0.02     0.11   0.03  -0.02
     4   6    -0.01   0.01  -0.03    -0.02   0.02   0.02    -0.01   0.01   0.02
     5   8     0.00   0.00   0.01    -0.02  -0.03  -0.01    -0.01  -0.02  -0.01
     6   6     0.05   0.06   0.01    -0.07   0.03   0.02     0.07  -0.04   0.10
     7   7     0.02   0.01   0.00    -0.07  -0.09  -0.01    -0.04  -0.05  -0.01
     8   8     0.01  -0.01  -0.00    -0.03   0.02   0.04    -0.02   0.02   0.02
     9   1    -0.07  -0.00   0.03     0.34   0.11   0.01     0.19   0.06  -0.02
    10   1    -0.14  -0.03   0.32    -0.41   0.13   0.01    -0.01   0.08  -0.32
    11   1     0.00   0.03   0.02    -0.01  -0.12  -0.05    -0.01  -0.08  -0.04
    12   1    -0.09  -0.08  -0.00     0.11  -0.09  -0.13     0.07  -0.00  -0.04
    13   1    -0.07   0.02  -0.02     0.19   0.08   0.02     0.08  -0.02   0.01
    14   1    -0.06  -0.02   0.48     0.11  -0.04   0.04    -0.13   0.08  -0.08
    15   1    -0.09  -0.18  -0.33     0.11  -0.03   0.34    -0.08   0.13  -0.12
    16   1    -0.14  -0.14  -0.01     0.06  -0.04  -0.35    -0.00   0.14   0.53
    17   1     0.39   0.19  -0.12     0.18   0.18  -0.11     0.28  -0.06  -0.04
    18   1    -0.29  -0.01   0.30    -0.20   0.04   0.09     0.09  -0.05   0.11
    19   1    -0.00   0.11   0.15     0.26   0.16  -0.10    -0.42  -0.11   0.32
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1076.0223              1096.4324              1130.8188
 Red. masses --      1.5858                 1.6217                 2.9467
 Frc consts  --      1.0818                 1.1487                 2.2201
 IR Inten    --     18.4083                 9.0902               255.0668
 RamAct Fr= 1--      3.8250                 5.2253                 1.5668
  Dep-P Fr= 1--      0.4202                 0.5679                 0.6212
  Dep-U Fr= 1--      0.5918                 0.7244                 0.7664
 Alpha2 Fr= 1--      0.0263                 0.0180                 0.0037
 Beta2  Fr= 1--      0.3773                 0.6309                 0.2001
 AlphaG Fr= 1--     -0.0122                -0.0095                -0.0139
 Gamma2 Fr= 1--      0.2338                -0.9959                -0.0466
 Delta2 Fr= 1--      0.3453                -0.6255                -0.1909
 Raman1 Fr= 1--      15.300                 20.901                  6.267
 ROA1   Fr= 1--      33.497               -115.626                -10.586
 CID1   Fr= 1--       2.189                 -5.532                 -1.689
 Raman2 Fr= 1--       4.527                  7.571                  2.401
 ROA2   Fr= 1--       2.850                -18.899                  0.408
 CID2   Fr= 1--       0.630                 -2.496                  0.170
 Raman3 Fr= 1--       9.054                 15.142                  4.803
 ROA3   Fr= 1--      33.497               -115.626                -10.586
 CID3   Fr= 1--       3.700                 -7.636                 -2.204
 RC180  Fr= 1--       0.184                  0.449                  0.533
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.05  -0.01    -0.02  -0.04   0.09    -0.00  -0.05   0.02
     2   6     0.03  -0.09  -0.07     0.07   0.01  -0.13     0.00   0.07  -0.05
     3   6     0.06  -0.10  -0.03    -0.01   0.08   0.03    -0.00  -0.07  -0.01
     4   6    -0.01   0.01  -0.00    -0.01   0.02  -0.02    -0.15  -0.21  -0.04
     5   8     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.02   0.21   0.12
     6   6    -0.05   0.08   0.04     0.01   0.03   0.06     0.01  -0.02   0.02
     7   7    -0.04   0.07   0.03     0.03  -0.09  -0.00     0.02   0.04   0.02
     8   8    -0.01   0.00   0.01     0.01  -0.00   0.00     0.06  -0.04  -0.06
     9   1    -0.02   0.18  -0.07    -0.33   0.49  -0.03     0.27   0.16  -0.04
    10   1     0.43  -0.25   0.09     0.07   0.03  -0.22    -0.01   0.08  -0.13
    11   1     0.01  -0.05  -0.02    -0.00   0.06   0.04     0.01  -0.63  -0.43
    12   1     0.08   0.01  -0.11    -0.22  -0.42  -0.12    -0.00  -0.04  -0.05
    13   1     0.23   0.31   0.05    -0.08   0.12  -0.08     0.09   0.20   0.00
    14   1     0.16  -0.06   0.26     0.03  -0.00   0.17    -0.03   0.02  -0.04
    15   1     0.09  -0.12   0.23     0.02  -0.02   0.06    -0.01   0.06   0.01
    16   1    -0.00  -0.12  -0.38     0.00  -0.01   0.00     0.03   0.04   0.09
    17   1     0.02  -0.12   0.02    -0.36   0.01   0.10    -0.08   0.08   0.00
    18   1     0.18  -0.03  -0.03    -0.18   0.02  -0.06    -0.19   0.01   0.03
    19   1    -0.26  -0.13   0.12     0.18   0.03  -0.18     0.14   0.06  -0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1169.7343              1210.9398              1241.3933
 Red. masses --      1.8268                 1.9872                 1.8436
 Frc consts  --      1.4727                 1.7169                 1.6739
 IR Inten    --      3.4251                 0.3525                 9.5964
 RamAct Fr= 1--      4.4129                 2.5402                 1.3738
  Dep-P Fr= 1--      0.5007                 0.5400                 0.5896
  Dep-U Fr= 1--      0.6673                 0.7013                 0.7418
 Alpha2 Fr= 1--      0.0217                 0.0103                 0.0041
 Beta2  Fr= 1--      0.4908                 0.2969                 0.1699
 AlphaG Fr= 1--     -0.0281                 0.0052                -0.0052
 Gamma2 Fr= 1--      0.3898                -0.4532                -0.1494
 Delta2 Fr= 1--      0.0628                 0.4098                 0.1436
 Raman1 Fr= 1--      17.652                 10.161                  5.495
 ROA1   Fr= 1--      39.427                -30.390                 -9.745
 CID1   Fr= 1--       2.234                 -2.991                 -1.773
 Raman2 Fr= 1--       5.890                  3.563                  2.038
 ROA2   Fr= 1--       8.852                -14.154                 -4.733
 CID2   Fr= 1--       1.503                 -3.972                 -2.322
 Raman3 Fr= 1--      11.779                  7.126                  4.076
 ROA3   Fr= 1--      39.427                -30.390                 -9.745
 CID3   Fr= 1--       3.347                 -4.265                 -2.391
 RC180  Fr= 1--       0.335                  0.403                  0.484
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09  -0.02    -0.08  -0.05  -0.08    -0.02   0.04   0.01
     2   6    -0.10  -0.10   0.10     0.17   0.04   0.10     0.04  -0.12  -0.03
     3   6    -0.01   0.12  -0.05    -0.05   0.11  -0.01     0.02   0.15   0.11
     4   6     0.01  -0.06   0.05    -0.01  -0.03   0.00    -0.02  -0.02  -0.02
     5   8    -0.01   0.03   0.01    -0.00   0.01   0.00    -0.02   0.03   0.03
     6   6     0.05   0.00  -0.05    -0.11  -0.05  -0.03    -0.02   0.08   0.00
     7   7     0.01  -0.07  -0.00     0.02  -0.05  -0.02    -0.00  -0.03  -0.08
     8   8    -0.00   0.01  -0.01     0.00   0.00  -0.00     0.02  -0.02  -0.02
     9   1     0.22   0.50  -0.10     0.01   0.26  -0.02     0.01  -0.25   0.17
    10   1    -0.03  -0.16   0.33     0.32  -0.03   0.22    -0.06  -0.04  -0.24
    11   1    -0.01  -0.11  -0.07    -0.00  -0.03  -0.02    -0.02  -0.28  -0.18
    12   1    -0.16  -0.32  -0.11    -0.09  -0.12   0.00     0.09   0.32   0.18
    13   1    -0.01   0.14  -0.06    -0.08  -0.05  -0.05    -0.20  -0.52  -0.01
    14   1    -0.09   0.01   0.09     0.15  -0.05  -0.35     0.11  -0.03   0.25
    15   1    -0.05  -0.06  -0.25     0.07   0.08   0.31     0.05  -0.15   0.06
    16   1    -0.10  -0.07   0.09     0.15   0.09  -0.23    -0.06  -0.08  -0.20
    17   1     0.05  -0.13   0.02     0.32   0.09  -0.12    -0.02  -0.11   0.03
    18   1     0.36   0.00  -0.14    -0.15  -0.06   0.29     0.13  -0.01  -0.03
    19   1    -0.12  -0.10   0.01    -0.13   0.08   0.24    -0.11  -0.07   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1277.7713              1340.2608              1368.8257
 Red. masses --      1.2840                 1.7933                 1.3765
 Frc consts  --      1.2352                 1.8980                 1.5196
 IR Inten    --      1.0357                26.3123                 2.4516
 RamAct Fr= 1--      8.4296                 3.3246                 5.0621
  Dep-P Fr= 1--      0.6094                 0.6556                 0.5964
  Dep-U Fr= 1--      0.7573                 0.7920                 0.7472
 Alpha2 Fr= 1--      0.0218                 0.0056                 0.0144
 Beta2  Fr= 1--      1.0640                 0.4388                 0.6304
 AlphaG Fr= 1--     -0.0065                 0.0096                 0.0532
 Gamma2 Fr= 1--     -2.0181                 1.7456                -0.0087
 Delta2 Fr= 1--     -1.2044                -0.2340                -0.1057
 Raman1 Fr= 1--      33.719                 13.298                 20.248
 ROA1   Fr= 1--    -232.274                160.086                 -4.214
 CID1   Fr= 1--      -6.889                 12.038                 -0.208
 Raman2 Fr= 1--      12.768                  5.266                  7.564
 ROA2   Fr= 1--     -38.798                 43.765                  0.637
 CID2   Fr= 1--      -3.039                  8.311                  0.084
 Raman3 Fr= 1--      25.536                 10.532                 15.129
 ROA3   Fr= 1--    -232.274                160.086                 -4.214
 CID3   Fr= 1--      -9.096                 15.200                 -0.279
 RC180  Fr= 1--       0.515                  0.584                  0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.01     0.01   0.02   0.01     0.01  -0.06   0.00
     2   6     0.01  -0.01  -0.03    -0.01   0.00  -0.04    -0.14   0.05  -0.01
     3   6    -0.10   0.02  -0.01     0.09  -0.02   0.05     0.04   0.04   0.04
     4   6    -0.01  -0.07   0.03    -0.14  -0.15  -0.04     0.01   0.02   0.00
     5   8     0.03  -0.01  -0.03     0.06   0.02  -0.02    -0.01  -0.01   0.00
     6   6    -0.00   0.04   0.01    -0.00  -0.03   0.00     0.03  -0.02  -0.01
     7   7     0.01  -0.00   0.00    -0.01   0.01  -0.05    -0.01  -0.01  -0.03
     8   8    -0.02   0.04   0.02     0.00   0.04   0.03     0.00  -0.01  -0.00
     9   1     0.79  -0.08   0.02    -0.23   0.33  -0.00    -0.02   0.02   0.05
    10   1     0.17  -0.01  -0.29    -0.07  -0.06   0.38     0.86  -0.26   0.01
    11   1     0.03   0.37   0.22     0.06   0.55   0.35    -0.01  -0.08  -0.05
    12   1    -0.04  -0.03   0.01     0.10   0.25   0.09     0.05   0.10   0.03
    13   1    -0.02   0.04  -0.02    -0.07  -0.30   0.01    -0.03  -0.17   0.01
    14   1     0.03  -0.01   0.14    -0.03   0.00  -0.07    -0.12   0.03   0.02
    15   1     0.03  -0.05   0.03    -0.01   0.05   0.01    -0.01   0.07  -0.04
    16   1    -0.03  -0.03  -0.05     0.03   0.02   0.03    -0.04  -0.02   0.09
    17   1    -0.01   0.02  -0.00    -0.05  -0.03   0.02     0.04   0.16  -0.05
    18   1    -0.08  -0.00   0.01     0.03   0.02  -0.04    -0.10  -0.01  -0.04
    19   1     0.05   0.01  -0.04    -0.05  -0.05   0.00     0.15   0.09  -0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1376.7611              1402.9148              1416.8904
 Red. masses --      1.4342                 1.2664                 1.3358
 Frc consts  --      1.6017                 1.4686                 1.5800
 IR Inten    --      3.9149                 8.1929                 0.1693
 RamAct Fr= 1--      2.9737                 0.1457                 2.5407
  Dep-P Fr= 1--      0.7245                 0.7139                 0.5357
  Dep-U Fr= 1--      0.8403                 0.8331                 0.6976
 Alpha2 Fr= 1--      0.0013                 0.0001                 0.0105
 Beta2  Fr= 1--      0.4165                 0.0202                 0.2954
 AlphaG Fr= 1--     -0.0030                 0.0007                 0.0245
 Gamma2 Fr= 1--     -1.3881                -0.1159                 0.9468
 Delta2 Fr= 1--      0.3071                 0.0307                 0.2169
 Raman1 Fr= 1--      11.895                  0.583                 10.163
 ROA1   Fr= 1--    -123.432                -10.144                 97.832
 CID1   Fr= 1--     -10.377                -17.403                  9.627
 Raman2 Fr= 1--       4.997                  0.243                  3.545
 ROA2   Fr= 1--     -35.771                 -3.027                 20.987
 CID2   Fr= 1--      -7.158                -12.468                  5.920
 Raman3 Fr= 1--       9.995                  0.486                  7.090
 ROA3   Fr= 1--    -123.432                -10.144                 97.832
 CID3   Fr= 1--     -12.349                -20.891                 13.799
 RC180  Fr= 1--       0.681                  0.666                  0.395
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.03    -0.10  -0.01   0.06     0.05   0.00  -0.02
     2   6     0.02   0.02  -0.15     0.02   0.00  -0.05    -0.00   0.01  -0.00
     3   6    -0.04   0.02   0.03    -0.01   0.01   0.01    -0.04  -0.08   0.04
     4   6     0.04   0.05   0.01     0.00   0.00  -0.00     0.05   0.05   0.02
     5   8    -0.02  -0.01   0.00    -0.00  -0.00   0.00    -0.02  -0.01   0.00
     6   6    -0.02  -0.05  -0.00     0.00  -0.00   0.08     0.02   0.01   0.08
     7   7     0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.01  -0.05
     8   8    -0.00  -0.01  -0.01    -0.00   0.00   0.00    -0.01  -0.01  -0.00
     9   1     0.36  -0.14   0.06     0.06  -0.09   0.02     0.23   0.54  -0.03
    10   1    -0.06  -0.13   0.75    -0.03  -0.03   0.17    -0.06   0.04  -0.04
    11   1    -0.02  -0.15  -0.09    -0.00  -0.01  -0.00    -0.01  -0.12  -0.07
    12   1     0.00   0.02   0.01    -0.00  -0.00   0.00     0.05   0.23   0.12
    13   1    -0.03  -0.06  -0.00     0.00   0.01  -0.00    -0.09  -0.18  -0.03
    14   1     0.01  -0.06   0.02     0.02   0.08  -0.30    -0.04   0.13  -0.35
    15   1     0.05   0.13   0.20    -0.15  -0.04  -0.23    -0.16  -0.08  -0.29
    16   1     0.08   0.14   0.17     0.07  -0.10  -0.26     0.01  -0.18  -0.30
    17   1    -0.16  -0.04   0.05     0.41   0.11  -0.01    -0.17  -0.03   0.01
    18   1    -0.09   0.07  -0.08     0.41  -0.12  -0.28    -0.18   0.06   0.08
    19   1    -0.08  -0.13  -0.04     0.31   0.21  -0.31    -0.12  -0.10   0.10
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.1330              1488.0580              1497.4319
 Red. masses --      1.3186                 1.0412                 1.0499
 Frc consts  --      1.5846                 1.3584                 1.3871
 IR Inten    --     10.9243                 1.4656                 2.2556
 RamAct Fr= 1--      1.3150                 8.8618                 2.7969
  Dep-P Fr= 1--      0.6088                 0.7491                 0.7421
  Dep-U Fr= 1--      0.7568                 0.8566                 0.8519
 Alpha2 Fr= 1--      0.0034                 0.0001                 0.0004
 Beta2  Fr= 1--      0.1659                 1.2651                 0.3971
 AlphaG Fr= 1--      0.0050                -0.0018                 0.0030
 Gamma2 Fr= 1--     -0.5110                 0.3708                 0.0595
 Delta2 Fr= 1--      0.1887                -0.2968                 0.2051
 Raman1 Fr= 1--       5.260                 35.447                 11.187
 ROA1   Fr= 1--     -43.015                 26.099                 12.275
 CID1   Fr= 1--      -8.178                  0.736                  1.097
 Raman2 Fr= 1--       1.990                 15.181                  4.766
 ROA2   Fr= 1--     -13.772                 11.274                 -0.213
 CID2   Fr= 1--      -6.919                  0.743                 -0.045
 Raman3 Fr= 1--       3.981                 30.362                  9.531
 ROA3   Fr= 1--     -43.015                 26.099                 12.275
 CID3   Fr= 1--     -10.805                  0.860                  1.288
 RC180  Fr= 1--       0.514                  0.713                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.01   0.02     0.01  -0.04  -0.01    -0.01   0.00  -0.04
     2   6     0.01   0.01   0.02     0.01  -0.00  -0.02     0.00  -0.01  -0.03
     3   6    -0.03  -0.09   0.03    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.03   0.04   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   8    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.01  -0.01  -0.09     0.00   0.03  -0.00     0.02  -0.02   0.01
     7   7     0.00   0.01  -0.04     0.00   0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1     0.12   0.52  -0.04     0.02  -0.03   0.00     0.03  -0.04   0.01
    10   1    -0.11   0.07  -0.09    -0.05  -0.01   0.08    -0.03  -0.02   0.03
    11   1    -0.01  -0.07  -0.04     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.06   0.20   0.09    -0.00  -0.01  -0.01    -0.00   0.01   0.01
    13   1    -0.08  -0.16  -0.02     0.01   0.01   0.00    -0.00   0.02  -0.00
    14   1     0.01  -0.11   0.33     0.10   0.04  -0.23    -0.35   0.09   0.12
    15   1     0.17   0.05   0.29     0.13  -0.39   0.11    -0.02   0.36   0.05
    16   1    -0.06   0.15   0.30    -0.26  -0.14   0.19     0.04  -0.10  -0.20
    17   1     0.22   0.06  -0.02    -0.30   0.42  -0.07    -0.32  -0.18   0.03
    18   1     0.26  -0.09  -0.09     0.23  -0.07  -0.17     0.33  -0.16   0.41
    19   1     0.18   0.17  -0.12    -0.00   0.26   0.44     0.20   0.38   0.20
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.6994              1516.2041              1674.8605
 Red. masses --      1.0433                 1.0564                 1.0875
 Frc consts  --      1.3954                 1.4308                 1.7974
 IR Inten    --      8.9641                 6.9553                32.7693
 RamAct Fr= 1--      3.7309                 4.1591                 2.3476
  Dep-P Fr= 1--      0.7470                 0.7499                 0.5903
  Dep-U Fr= 1--      0.8552                 0.8571                 0.7424
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0070
 Beta2  Fr= 1--      0.5318                 0.5941                 0.2905
 AlphaG Fr= 1--      0.0017                 0.0000                -0.0044
 Gamma2 Fr= 1--     -0.7618                -0.3601                -0.1892
 Delta2 Fr= 1--      0.1858                -0.1432                 0.1560
 Raman1 Fr= 1--      14.923                 16.636                  9.390
 ROA1   Fr= 1--     -67.190                -39.151                -13.171
 CID1   Fr= 1--      -4.502                 -2.353                 -1.403
 Raman2 Fr= 1--       6.381                  7.130                  3.486
 ROA2   Fr= 1--     -19.771                 -7.496                 -5.789
 CID2   Fr= 1--      -3.098                 -1.051                 -1.661
 Raman3 Fr= 1--      12.763                 14.259                  6.971
 ROA3   Fr= 1--     -67.190                -39.151                -13.171
 CID3   Fr= 1--      -5.265                 -2.746                 -1.889
 RC180  Fr= 1--       0.710                  0.714                  0.485
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.00   0.01  -0.03    -0.00   0.00   0.00
     2   6    -0.01  -0.03   0.01    -0.04   0.02  -0.02    -0.01  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.01   0.00     0.03   0.00  -0.01
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.03  -0.03   0.01    -0.03   0.01   0.01    -0.00   0.00  -0.00
     7   7    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.02  -0.07  -0.01
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1     0.01   0.03  -0.00     0.01   0.01   0.00    -0.03  -0.04  -0.00
    10   1    -0.03  -0.01  -0.06     0.07  -0.02   0.03     0.03  -0.02   0.02
    11   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.01   0.00  -0.01     0.01  -0.01  -0.03    -0.16   0.40   0.53
    13   1    -0.01  -0.02   0.00     0.01  -0.04   0.01    -0.27   0.62  -0.25
    14   1     0.23  -0.16   0.26     0.52  -0.16  -0.08     0.04  -0.02   0.01
    15   1    -0.22   0.27  -0.28    -0.08  -0.35  -0.22    -0.00  -0.02  -0.01
    16   1     0.43   0.35  -0.14     0.12   0.26   0.21     0.01   0.03   0.02
    17   1    -0.14   0.36  -0.06    -0.11  -0.34   0.06    -0.00  -0.00   0.00
    18   1     0.08  -0.00  -0.25     0.12  -0.08   0.41     0.00  -0.00   0.00
    19   1    -0.07   0.07   0.28     0.17   0.17  -0.08     0.00   0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1804.6923              3030.9745              3035.2467
 Red. masses --      9.8723                 1.0370                 1.0362
 Frc consts  --     18.9441                 5.6128                 5.6244
 IR Inten    --    274.2981                35.6448                13.5474
 RamAct Fr= 1--     12.4862                22.9732               285.5280
  Dep-P Fr= 1--      0.2148                 0.2576                 0.0081
  Dep-U Fr= 1--      0.3536                 0.4097                 0.0160
 Alpha2 Fr= 1--      0.1630                 0.2665                 6.2267
 Beta2  Fr= 1--      0.7359                 1.5685                 0.7612
 AlphaG Fr= 1--     -0.0184                -0.0061                -0.3548
 Gamma2 Fr= 1--     -0.6491                -1.5454                 0.2247
 Delta2 Fr= 1--     -0.0144                -0.8151                 0.2020
 Raman1 Fr= 1--      49.945                 91.893               1142.112
 ROA1   Fr= 1--     -62.779               -174.445                 28.035
 CID1   Fr= 1--      -1.257                 -1.898                  0.025
 Raman2 Fr= 1--       8.831                 18.823                  9.134
 ROA2   Fr= 1--     -15.464                -30.570                  3.777
 CID2   Fr= 1--      -1.751                 -1.624                  0.414
 Raman3 Fr= 1--      17.662                 37.645                 18.268
 ROA3   Fr= 1--     -62.779               -174.445                 28.035
 CID3   Fr= 1--      -3.555                 -4.634                  1.535
 RC180  Fr= 1--      -0.293                 -0.181                 -0.968
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.03  -0.00  -0.03     0.02  -0.00  -0.02
     2   6     0.01  -0.01   0.00     0.00   0.01   0.00     0.00   0.01   0.00
     3   6     0.04   0.00  -0.04    -0.00   0.00   0.00    -0.00   0.00   0.01
     4   6    -0.45   0.30   0.47     0.00   0.00   0.00    -0.00   0.00   0.00
     5   8     0.03  -0.03  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.02     0.00   0.01   0.04
     7   7    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   8     0.26  -0.22  -0.30     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   1     0.19   0.03  -0.02     0.00  -0.00  -0.01     0.00  -0.01  -0.06
    10   1     0.01  -0.00  -0.00    -0.05  -0.16  -0.03    -0.02  -0.07  -0.01
    11   1     0.03   0.40   0.25     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   1    -0.03  -0.00   0.02     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   1    -0.05  -0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.01   0.00   0.00     0.11   0.30   0.07    -0.16  -0.46  -0.10
    15   1    -0.02   0.03  -0.01    -0.26  -0.05   0.13     0.46   0.08  -0.24
    16   1     0.02  -0.00  -0.04     0.18  -0.18   0.09    -0.30   0.30  -0.15
    17   1     0.00   0.01  -0.00     0.05   0.10   0.55     0.03   0.06   0.35
    18   1    -0.01   0.00  -0.00    -0.10  -0.35  -0.05    -0.06  -0.21  -0.03
    19   1    -0.02  -0.01   0.02    -0.35   0.30  -0.20    -0.20   0.18  -0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3039.6347              3056.3575              3089.1132
 Red. masses --      1.0816                 1.0838                 1.1015
 Frc consts  --      5.8876                 5.9651                 6.1929
 IR Inten    --      8.0484                14.3934                29.9894
 RamAct Fr= 1--    102.0057               115.6510                73.7522
  Dep-P Fr= 1--      0.3071                 0.1017                 0.7448
  Dep-U Fr= 1--      0.4699                 0.1845                 0.8538
 Alpha2 Fr= 1--      1.0241                 2.0167                 0.0065
 Beta2  Fr= 1--      7.9886                 3.5571                10.4945
 AlphaG Fr= 1--     -0.0114                -0.0112                -0.0186
 Gamma2 Fr= 1--      1.0520                -4.0805                 0.0530
 Delta2 Fr= 1--      2.0831                -4.2842                 0.8244
 Raman1 Fr= 1--     408.023                462.604                295.009
 ROA1   Fr= 1--     167.652               -528.826                 31.472
 CID1   Fr= 1--       0.411                 -1.143                  0.107
 Raman2 Fr= 1--      95.864                 42.685                125.934
 ROA2   Fr= 1--       8.583                -63.660                 -5.322
 CID2   Fr= 1--       0.090                 -1.491                 -0.042
 Raman3 Fr= 1--     191.727                 85.370                251.867
 ROA3   Fr= 1--     167.652               -528.826                 31.472
 CID3   Fr= 1--       0.874                 -6.194                  0.125
 RC180  Fr= 1--      -0.060                 -0.631                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00     0.01   0.00   0.00    -0.05   0.02  -0.08
     2   6    -0.02  -0.07  -0.01    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.02     0.00  -0.01  -0.08     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.01  -0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
     7   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.01  -0.03  -0.19    -0.02   0.13   0.96     0.00   0.01   0.06
    10   1     0.27   0.88   0.18     0.05   0.16   0.03     0.01   0.03   0.01
    11   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    13   1    -0.00   0.00   0.00     0.01   0.00  -0.02     0.00   0.00  -0.00
    14   1    -0.03  -0.10  -0.02    -0.02  -0.06  -0.01     0.01   0.01   0.00
    15   1    -0.08  -0.01   0.04     0.02   0.00  -0.01    -0.10  -0.02   0.06
    16   1     0.07  -0.06   0.03     0.01  -0.01   0.00    -0.08   0.08  -0.04
    17   1     0.01   0.02   0.08    -0.00   0.00   0.00     0.04   0.13   0.66
    18   1    -0.05  -0.19  -0.03    -0.02  -0.07  -0.01     0.01   0.09  -0.01
    19   1    -0.05   0.05  -0.03    -0.05   0.04  -0.03     0.49  -0.43   0.26
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3096.5835              3097.4476              3112.4266
 Red. masses --      1.1017                 1.1013                 1.1005
 Frc consts  --      6.2241                 6.2253                 6.2812
 IR Inten    --     30.1139                20.5848                25.4108
 RamAct Fr= 1--     64.7860                53.2271                48.9909
  Dep-P Fr= 1--      0.7362                 0.5537                 0.7112
  Dep-U Fr= 1--      0.8480                 0.7128                 0.8312
 Alpha2 Fr= 1--      0.0153                 0.1992                 0.0329
 Beta2  Fr= 1--      9.1569                 6.3231                 6.7871
 AlphaG Fr= 1--      0.0586                -0.1001                -0.0787
 Gamma2 Fr= 1--    -11.2499                13.7996                -3.9169
 Delta2 Fr= 1--     -4.7231                 9.9037                -3.7164
 Raman1 Fr= 1--     259.144                212.908                195.963
 ROA1   Fr= 1--   -1231.136               1641.680               -494.950
 CID1   Fr= 1--      -4.751                  7.711                 -2.526
 Raman2 Fr= 1--     109.883                 75.877                 81.445
 ROA2   Fr= 1--    -232.214                251.960                -64.275
 CID2   Fr= 1--      -2.113                  3.321                 -0.789
 Raman3 Fr= 1--     219.766                151.754                162.890
 ROA3   Fr= 1--   -1231.136               1641.680               -494.950
 CID3   Fr= 1--      -5.602                 10.818                 -3.039
 RC180  Fr= 1--       0.696                  0.426                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.01     0.00   0.02   0.01    -0.00  -0.09  -0.02
     2   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.09  -0.01   0.01     0.01  -0.09   0.01    -0.00  -0.02   0.00
     7   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.00   0.00  -0.00    -0.00   0.00   0.01     0.00   0.00   0.02
    10   1     0.02   0.06   0.01     0.04   0.12   0.03     0.05   0.15   0.03
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    12   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.10   0.34   0.08     0.23   0.62   0.16     0.05   0.13   0.03
    15   1     0.67   0.12  -0.36     0.08  -0.01  -0.04     0.03   0.00  -0.02
    16   1     0.30  -0.33   0.18    -0.45   0.43  -0.24    -0.07   0.07  -0.04
    17   1     0.01   0.02   0.08    -0.01  -0.01  -0.10     0.02   0.03   0.25
    18   1    -0.01  -0.01  -0.01    -0.05  -0.18  -0.02     0.25   0.81   0.11
    19   1     0.09  -0.08   0.04     0.00  -0.00   0.01    -0.26   0.21  -0.15
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3496.2800              3564.7211              3720.2841
 Red. masses --      1.0496                 1.0918                 1.0641
 Frc consts  --      7.5594                 8.1745                 8.6773
 IR Inten    --      2.3051                 5.7715                56.4598
 RamAct Fr= 1--     98.7166                50.0794               122.4655
  Dep-P Fr= 1--      0.0802                 0.6038                 0.2296
  Dep-U Fr= 1--      0.1485                 0.7530                 0.3735
 Alpha2 Fr= 1--      1.8135                 0.1353                 1.5357
 Beta2  Fr= 1--      2.4439                 6.2846                 7.6227
 AlphaG Fr= 1--      0.1586                 0.1296                -0.0555
 Gamma2 Fr= 1--      0.6402                -0.1203                -2.0717
 Delta2 Fr= 1--     -0.4438                 1.0967                -0.6288
 Raman1 Fr= 1--     394.866                200.318                489.862
 ROA1   Fr= 1--      47.261                 23.542               -219.009
 CID1   Fr= 1--       0.120                  0.118                 -0.447
 Raman2 Fr= 1--      29.327                 75.415                 91.473
 ROA2   Fr= 1--      18.916                -11.661                -44.691
 CID2   Fr= 1--       0.645                 -0.155                 -0.489
 Raman3 Fr= 1--      58.654                150.829                182.945
 ROA3   Fr= 1--      47.261                 23.542               -219.009
 CID3   Fr= 1--       0.806                  0.156                 -1.197
 RC180  Fr= 1--      -0.703                  0.506                 -0.253
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.05  -0.02   0.02
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   7     0.03  -0.04  -0.02    -0.01   0.02  -0.08    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.00   0.00   0.01     0.00   0.00   0.02     0.00   0.00   0.00
    10   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.89   0.25  -0.38
    12   1    -0.30   0.37  -0.42     0.40  -0.46   0.48     0.00  -0.00   0.00
    13   1    -0.20   0.17   0.73    -0.19   0.15   0.58    -0.00  -0.00   0.00
    14   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   614.082141259.071801357.05588
           X            0.99993  -0.00953   0.00661
           Y            0.00999   0.99727  -0.07313
           Z           -0.00589   0.07319   0.99730
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14105     0.06879     0.06382
 Rotational constants (GHZ):           2.93892     1.43339     1.32989
 Zero-point vibrational energy     431224.1 (Joules/Mol)
                                  103.06504 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     74.99   119.19   254.89   266.74   313.46
          (Kelvin)            369.33   373.23   422.14   493.08   569.82
                              634.00   821.09   876.84   944.55  1032.28
                             1205.26  1215.23  1310.97  1354.03  1381.26
                             1407.31  1548.16  1577.52  1627.00  1682.99
                             1742.27  1786.09  1838.43  1928.34  1969.43
                             1980.85  2018.48  2038.59  2054.76  2140.98
                             2154.47  2167.80  2181.48  2409.75  2596.55
                             4360.90  4367.04  4373.36  4397.42  4444.54
                             4455.29  4456.54  4478.09  5030.37  5128.84
                             5352.66
 
 Zero-point correction=                           0.164245 (Hartree/Particle)
 Thermal correction to Energy=                    0.173815
 Thermal correction to Enthalpy=                  0.174759
 Thermal correction to Gibbs Free Energy=         0.129854
 Sum of electronic and zero-point Energies=           -402.407378
 Sum of electronic and thermal Energies=              -402.397808
 Sum of electronic and thermal Enthalpies=            -402.396864
 Sum of electronic and thermal Free Energies=         -402.441769
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.070             34.449             94.510
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.441
 Vibrational            107.293             28.488             25.880
 Vibration     1          0.596              1.977              4.735
 Vibration     2          0.600              1.961              3.822
 Vibration     3          0.628              1.870              2.358
 Vibration     4          0.631              1.860              2.273
 Vibration     5          0.646              1.814              1.977
 Vibration     6          0.666              1.751              1.684
 Vibration     7          0.668              1.747              1.666
 Vibration     8          0.688              1.686              1.454
 Vibration     9          0.722              1.590              1.200
 Vibration    10          0.763              1.479              0.977
 Vibration    11          0.801              1.381              0.825
 Vibration    12          0.927              1.095              0.503
 Vibration    13          0.968              1.012              0.434
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.186724D-59        -59.728799       -137.530643
 Total V=0       0.658268D+16         15.818403         36.423218
 Vib (Bot)       0.102269D-72        -72.990255       -168.066272
 Vib (Bot)    1  0.396530D+01          0.598276          1.377581
 Vib (Bot)    2  0.248490D+01          0.395308          0.910231
 Vib (Bot)    3  0.113482D+01          0.054927          0.126475
 Vib (Bot)    4  0.108132D+01          0.033953          0.078180
 Vib (Bot)    5  0.908739D+00         -0.041561         -0.095697
 Vib (Bot)    6  0.757890D+00         -0.120394         -0.277218
 Vib (Bot)    7  0.748970D+00         -0.125536         -0.289057
 Vib (Bot)    8  0.650559D+00         -0.186713         -0.429923
 Vib (Bot)    9  0.540883D+00         -0.266897         -0.614553
 Vib (Bot)   10  0.451343D+00         -0.345494         -0.795529
 Vib (Bot)   11  0.392099D+00         -0.406604         -0.936241
 Vib (Bot)   12  0.269502D+00         -0.569438         -1.311180
 Vib (Bot)   13  0.242632D+00         -0.615052         -1.416210
 Vib (V=0)       0.360535D+03          2.556947          5.887589
 Vib (V=0)    1  0.449670D+01          0.652894          1.503343
 Vib (V=0)    2  0.303470D+01          0.482116          1.110113
 Vib (V=0)    3  0.174009D+01          0.240571          0.553936
 Vib (V=0)    4  0.169132D+01          0.228226          0.525510
 Vib (V=0)    5  0.153721D+01          0.186733          0.429970
 Vib (V=0)    6  0.140796D+01          0.148591          0.342144
 Vib (V=0)    7  0.140053D+01          0.146293          0.336851
 Vib (V=0)    8  0.132050D+01          0.120740          0.278014
 Vib (V=0)    9  0.123658D+01          0.092223          0.212352
 Vib (V=0)   10  0.117358D+01          0.069513          0.160059
 Vib (V=0)   11  0.113541D+01          0.055151          0.126991
 Vib (V=0)   12  0.106801D+01          0.028574          0.065794
 Vib (V=0)   13  0.105576D+01          0.023566          0.054262
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.366676D+06          5.564283         12.812235
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3 3        33333333                                         1   1  1111111111 111 1111                                    
     7     5 4        10000000                                         8   6  5544444333 222 1100 9999 88   7 6 65   4 33222211      
     2     6 9        19985433                                         0   7  1098210764 741 7397 7641 43   1 5 07   4 94955187   85 
     0     5 6        27796051                                         5   5  6778873790 811 0166 8011 58   7 6 91   1 63397857   32 
 
     X     X X        XXXXXXXX                                         X   X  XXXXXXXXXX XXX XXXX XXXX XX   X X XX   X XXXXXXXX   XX 
     X                XXXX   X                                         X   X           X      X      X X    X X XX           X       
     X                       X                                         X                      X      X X        XX           X       
     X                                                                 X                      X        X                             
                                                                       X                      X        X                             
                                                                       X                      X        X                             
                                                                       X                      X        X                             
                                                                       X                      X        X                             
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000012529    0.000000199    0.000009767
      2        6          -0.000006492   -0.000002596   -0.000000510
      3        6          -0.000003156   -0.000000198   -0.000007929
      4        6          -0.000005821    0.000007975    0.000010555
      5        8           0.000003575    0.000001431   -0.000002015
      6        6           0.000002003   -0.000004070    0.000001705
      7        7          -0.000004159   -0.000001815    0.000002841
      8        8           0.000004452   -0.000001923   -0.000005583
      9        1          -0.000000600    0.000004108   -0.000001004
     10        1           0.000002080    0.000002478    0.000000747
     11        1           0.000000929    0.000001220   -0.000001207
     12        1          -0.000001816   -0.000000670    0.000001025
     13        1          -0.000001292   -0.000002610    0.000001469
     14        1          -0.000000058   -0.000001009   -0.000002250
     15        1           0.000001314   -0.000001223   -0.000002551
     16        1           0.000000968   -0.000001639   -0.000000352
     17        1           0.000000075    0.000005138   -0.000000645
     18        1          -0.000002436   -0.000001938   -0.000001968
     19        1          -0.000002095   -0.000002856   -0.000002092
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012529 RMS     0.000003826
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.882314D+02  0.101525D+00 -0.270751D+01
      2   0.101525D+00  0.777100D+02  0.185427D+01
      3  -0.270751D+01  0.185427D+01  0.751767D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.175111D+01  0.898098D+00  0.176142D-01
      2   0.577460D+01 -0.621096D+01  0.346944D+02
      3   0.688978D+01 -0.265122D+02  0.707147D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.731744D+02 -0.249666D+02  0.529397D+01
      2  -0.403135D+02  0.240379D+02 -0.117610D+02
      3  -0.328609D+02  0.928683D+00  0.646698D+01
      4  -0.238563D+02  0.426325D+02 -0.170847D+02
      5   0.123347D+02 -0.192535D+02  0.685436D+02
      6  -0.515932D+01  0.261201D-02 -0.632719D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.153550D+00  0.236505D+01 -0.388001D+01  0.370561D+01 -0.425575D+01
      2   0.236505D+01 -0.347400D+01  0.721000D+00 -0.425575D+01 -0.331824D+01
      3  -0.388001D+01  0.721000D+00  0.141010D+01  0.514123D+00 -0.127059D+01
                 6             7             8             9            10 
      1   0.514123D+00 -0.517485D+01  0.978273D+00  0.325119D-01  0.174518D+01
      2  -0.127059D+01  0.978273D+00 -0.139891D+01  0.165618D+01 -0.213137D+01
      3   0.190056D+01  0.325119D-01  0.165618D+01  0.743356D+01  0.423595D+01
                11            12            13            14            15 
      1  -0.213137D+01  0.423595D+01 -0.552496D+01  0.433335D+01 -0.364482D-01
      2   0.421297D+01 -0.173015D+00  0.433335D+01  0.488906D+01  0.231795D+01
      3  -0.173015D+00 -0.106793D+01 -0.364482D-01  0.231795D+01 -0.889228D+00
                16            17            18            19            20 
      1   0.637508D+01 -0.466369D+00 -0.534026D+00 -0.207367D+01  0.567952D+01
      2  -0.466369D+00  0.259327D+01 -0.271459D+00  0.567952D+01 -0.724284D+00
      3  -0.534026D+00 -0.271459D+00 -0.586748D+01 -0.151998D+01  0.133767D+00
                21            22            23            24            25 
      1  -0.151998D+01  0.603899D+01 -0.116682D+01  0.364932D+00 -0.381968D+01
      2   0.133767D+00 -0.116682D+01 -0.879335D+00 -0.959669D+00 -0.242259D+00
      3  -0.316569D+00  0.364932D+00 -0.959669D+00  0.178141D+01 -0.446747D+00
                26            27            28            29            30 
      1  -0.242259D+00 -0.446747D+00 -0.300197D+00 -0.390440D+01 -0.585456D+00
      2  -0.195650D+01  0.129334D+01 -0.390440D+01  0.276484D+00  0.145637D+01
      3   0.129334D+01  0.652906D+01 -0.585456D+00  0.145637D+01  0.418927D+00
                31            32            33            34            35 
      1  -0.329242D+01 -0.543727D-01  0.163194D+01 -0.300645D+01  0.199478D+01
      2  -0.543727D-01 -0.833574D+00  0.438070D+00  0.199478D+01  0.289124D+00
      3   0.163194D+01  0.438070D+00 -0.153056D+01  0.122627D+01 -0.116128D+01
                36            37            38            39            40 
      1   0.122627D+01  0.524822D+01  0.164546D+01 -0.167231D+01  0.454918D+00
      2  -0.116128D+01  0.164546D+01  0.172458D+01 -0.675532D+00  0.185753D+00
      3  -0.255959D+01 -0.167231D+01 -0.675532D+00  0.496903D+00 -0.102179D+01
                41            42            43            44            45 
      1   0.185753D+00 -0.102179D+01 -0.303944D+01 -0.175399D+01 -0.797403D+00
      2  -0.394080D+01 -0.161224D+01 -0.175399D+01 -0.235135D+01 -0.162534D+01
      3  -0.161224D+01 -0.699419D+00 -0.797403D+00 -0.162534D+01 -0.244282D+01
                46            47            48            49            50 
      1   0.119814D+01  0.258186D+01 -0.491538D+01  0.281271D+01 -0.397074D+01
      2   0.258186D+01 -0.367920D+01  0.552303D+00 -0.397074D+01 -0.268783D+01
      3  -0.491538D+01  0.552303D+00  0.877607D+00  0.618165D+00 -0.333273D+01
                51            52            53            54            55 
      1   0.618165D+00 -0.392684D+01  0.257336D+00  0.849359D+00  0.168839D+01
      2  -0.333273D+01  0.257336D+00 -0.254538D+01  0.606655D+00 -0.137607D+01
      3   0.156130D+01  0.849359D+00  0.606655D+00  0.366756D+01  0.901722D+00
                56            57            58            59            60 
      1  -0.137607D+01  0.901722D+00 -0.112452D+01  0.278785D+01 -0.816858D+00
      2   0.394352D+01 -0.799662D+00  0.278785D+01  0.179582D+01  0.955813D+00
      3  -0.799662D+00  0.257508D+01 -0.816858D+00  0.955813D+00 -0.179620D+01
                61            62            63            64            65 
      1   0.119877D+01 -0.127765D+01  0.267494D+01 -0.664463D+01  0.264013D+01
      2  -0.127765D+01  0.114326D+01 -0.160948D+01  0.264013D+01 -0.221876D+01
      3   0.267494D+01 -0.160948D+01 -0.243599D+01  0.283085D+01 -0.122105D+01
                66            67            68            69            70 
      1   0.283085D+01  0.356852D+01 -0.230030D+01 -0.957658D+00  0.516520D+01
      2  -0.122105D+01 -0.230030D+01  0.425433D+01  0.178282D+01 -0.105499D+01
      3  -0.184709D+01 -0.957658D+00  0.178282D+01  0.180414D+01 -0.282156D+01
                71            72            73            74            75 
      1  -0.105499D+01 -0.282156D+01  0.488942D+00 -0.747480D+00 -0.109325D+01
      2   0.219708D+01  0.208697D+01 -0.747480D+00  0.266559D+00 -0.579918D-01
      3   0.208697D+01  0.553486D+01 -0.109325D+01 -0.579918D-01  0.136414D+00
                76            77            78            79            80 
      1  -0.133701D+01  0.294755D+00 -0.151296D-01 -0.130225D+01  0.217186D-01
      2   0.294755D+00  0.662549D-01 -0.112475D+01  0.217186D-01 -0.121951D+01
      3  -0.151296D-01 -0.112475D+01 -0.680330D+00 -0.253668D-01 -0.309361D+00
                81            82            83            84            85 
      1  -0.253668D-01 -0.149725D+01 -0.116552D+01 -0.890448D+00 -0.119398D+01
      2  -0.309361D+00 -0.116552D+01 -0.151832D+01 -0.352459D-01 -0.145133D+01
      3  -0.875920D+01 -0.890448D+00 -0.352459D-01 -0.271444D+00 -0.659550D-01
                86            87            88            89            90 
      1  -0.145133D+01 -0.659550D-01 -0.116483D+01 -0.862788D-01 -0.140295D+00
      2  -0.773761D+01 -0.122200D+01 -0.862788D-01 -0.117948D+01 -0.130870D+01
      3  -0.122200D+01 -0.141399D+01 -0.140295D+00 -0.130870D+01 -0.102956D+00
                91            92            93            94            95 
      1  -0.749060D+01 -0.385561D+01  0.384177D+00 -0.211343D+01 -0.187679D+01
      2  -0.385561D+01 -0.321091D+01  0.862921D-01 -0.187679D+01 -0.232757D+01
      3   0.384177D+00  0.862921D-01 -0.105388D+01  0.178806D+00  0.599356D-01
                96            97            98            99           100 
      1   0.178806D+00  0.239196D+01  0.135241D+01 -0.100831D+01 -0.105328D+01
      2   0.599356D-01  0.135241D+01  0.113076D+01 -0.590632D+00  0.188864D+01
      3  -0.511834D+00 -0.100831D+01 -0.590632D+00  0.356519D+00 -0.107921D+01
               101           102           103           104           105 
      1   0.188864D+01 -0.107921D+01  0.175990D+01 -0.223030D+01  0.107479D+01
      2  -0.268960D+01  0.135139D+01 -0.223030D+01  0.493850D+01 -0.197709D+01
      3   0.135139D+01 -0.125140D+01  0.107479D+01 -0.197709D+01  0.165759D+01
               106           107           108           109           110 
      1  -0.180107D+01  0.153443D+01 -0.143558D+01 -0.751703D-01  0.561412D+00
      2   0.153443D+01 -0.323194D+01  0.225772D+01  0.561412D+00 -0.647515D+00
      3  -0.143558D+01  0.225772D+01 -0.234658D+01  0.298279D+00 -0.545668D+00
               111           112           113           114           115 
      1   0.298279D+00  0.603223D+00 -0.346319D+00 -0.536952D+00  0.133171D+01
      2  -0.545668D+00 -0.346319D+00  0.150417D+01  0.102717D+01 -0.422946D+00
      3  -0.897302D+00 -0.536952D+00  0.102717D+01  0.118272D+01 -0.817553D+00
               116           117           118           119           120 
      1  -0.422946D+00 -0.817553D+00  0.122669D+01  0.102736D+01  0.116302D+01
      2   0.245790D+01  0.149780D+01  0.102736D+01  0.163318D+01  0.607523D+00
      3   0.149780D+01  0.443788D+01  0.116302D+01  0.607523D+00  0.891947D+00
               121           122           123           124           125 
      1   0.158458D+01  0.160269D+01  0.883329D+00  0.821551D+00  0.485853D+00
      2   0.160269D+01  0.537372D+01  0.192036D+01  0.485853D+00  0.133112D+01
      3   0.883329D+00  0.192036D+01  0.267622D+01  0.423099D+00  0.136146D+01
               126           127           128           129           130 
      1   0.423099D+00 -0.530353D+01 -0.824108D+00  0.250372D+01 -0.825564D+00
      2   0.136146D+01 -0.824108D+00 -0.813526D+00  0.619785D+00 -0.481299D+00
      3   0.116518D+01  0.250372D+01  0.619785D+00 -0.354590D+01  0.377231D+00
               131           132           133           134           135 
      1  -0.481299D+00  0.377231D+00  0.198224D+01  0.387270D+00 -0.222150D+01
      2  -0.403680D+00  0.115149D+01  0.387270D+00  0.862641D+00 -0.612844D+00
      3   0.115149D+01 -0.878718D+00 -0.222150D+01 -0.612844D+00  0.313249D+01
               136           137           138           139           140 
      1   0.392160D+01 -0.244463D+01  0.267076D+01 -0.277604D+01  0.262367D+01
      2  -0.244463D+01  0.246399D+01 -0.139116D+01  0.262367D+01 -0.328205D+01
      3   0.267076D+01 -0.139116D+01  0.238806D+01 -0.156014D+01  0.236493D+01
               141           142           143           144           145 
      1  -0.156014D+01  0.164454D+01 -0.971467D+00  0.163951D+01  0.106893D+00
      2   0.236493D+01 -0.971467D+00  0.154815D+01 -0.167615D+01 -0.359884D+00
      3  -0.263168D+01  0.163951D+01 -0.167615D+01  0.233578D+01 -0.771448D+00
               146           147           148           149           150 
      1  -0.359884D+00 -0.771448D+00 -0.776358D+00  0.721091D+00  0.188537D+00
      2   0.230397D+00 -0.124083D-01  0.721091D+00 -0.370405D+00 -0.121047D+01
      3  -0.124083D-01 -0.265989D+00  0.188537D+00 -0.121047D+01 -0.143826D+01
               151           152           153           154           155 
      1  -0.169609D+01  0.214243D+00  0.171241D+01  0.185094D+01  0.146983D+01
      2   0.214243D+00 -0.126900D+01 -0.126451D+01  0.146983D+01  0.182796D+01
      3   0.171241D+01 -0.126451D+01 -0.987216D+01  0.301530D+00 -0.140897D+00
               156           157           158           159           160 
      1   0.301530D+00  0.291981D+01  0.233387D+01 -0.435243D+00  0.943601D+00
      2  -0.140897D+00  0.233387D+01  0.571412D+01  0.404196D-01  0.502518D-01
      3   0.300115D+00 -0.435243D+00  0.404196D-01  0.119078D+01  0.507042D+00
               161           162           163           164           165 
      1   0.502518D-01  0.507042D+00  0.680978D+01 -0.305020D+01  0.111749D+01
      2   0.512343D+00  0.647558D+00 -0.305020D+01  0.239647D+01 -0.475812D+00
      3   0.647558D+00 -0.583029D+00  0.111749D+01 -0.475812D+00  0.102235D+01
               166           167           168           169           170 
      1  -0.448399D+01  0.325099D+01 -0.385672D+00  0.307684D+01 -0.100061D+01
      2   0.325099D+01 -0.275488D+01  0.650584D+00 -0.100061D+01  0.108642D+01
      3  -0.385672D+00  0.650584D+00 -0.128450D+01  0.118321D+01 -0.977918D+00
               171 
      1   0.118321D+01
      2  -0.977918D+00
      3   0.376908D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.381090D+01  0.328992D+01 -0.231164D-02  0.441675D+01  0.248921D+01
      2  -0.105360D+02  0.406234D+01  0.146283D+01  0.494365D+01 -0.707771D+01
      3  -0.632315D+01  0.674530D+01 -0.272245D+00  0.149703D+02  0.118521D+02
                 6             7             8             9            10 
      1  -0.821389D+00  0.349619D+00  0.306048D+01  0.120251D+00  0.397957D+01
      2   0.550164D+01 -0.875882D+01  0.560818D+01  0.217652D+02  0.795520D+01
      3   0.187408D+01 -0.158617D+01  0.335069D+01 -0.509490D+01  0.177698D+01
                11            12            13            14            15 
      1  -0.542405D+00 -0.449384D+00 -0.654868D+00  0.293279D+01 -0.496403D+01
      2  -0.149806D+01  0.341773D+01 -0.470741D+01  0.302225D+01 -0.138427D+01
      3  -0.575800D+01 -0.146255D+01  0.374472D+00 -0.112861D+02 -0.265635D+01
                16            17            18            19            20 
      1  -0.150711D+01  0.203991D+01 -0.288415D+01 -0.495378D+01 -0.378243D-01
      2  -0.301008D+01 -0.937930D-01 -0.592659D+01 -0.115946D+01  0.218335D+01
      3  -0.697911D-01 -0.234069D+01  0.120108D+01  0.464650D+01 -0.372598D+01
                21            22            23            24            25 
      1  -0.130630D+01  0.481480D+00  0.210774D+01  0.654790D+00 -0.975952D+00
      2   0.188461D+01  0.513818D+01 -0.176317D+01  0.169598D+01 -0.854996D+01
      3   0.140250D+01  0.244841D+01  0.601079D+00  0.903635D+00 -0.175880D+01
                26            27            28            29            30 
      1   0.488355D+01 -0.298151D+01  0.305709D+01  0.355944D+01  0.107974D+01
      2  -0.340885D+00 -0.192107D+01 -0.787995D+01 -0.240969D+01 -0.500097D+01
      3   0.713556D+00  0.146465D+00 -0.822548D+01  0.177424D+01 -0.176192D+01
                31            32            33            34            35 
      1   0.816296D+00 -0.719598D+01  0.154593D+00  0.145213D+01  0.383807D+01
      2   0.317876D+01  0.288240D+01  0.459290D+00 -0.131468D+02 -0.848599D+00
      3   0.522885D+01  0.249480D+01 -0.326308D+01 -0.698267D+01 -0.822145D+01
                36            37            38            39            40 
      1   0.633562D+01 -0.320722D+01 -0.939852D+00 -0.462793D+00 -0.630885D-01
      2   0.876287D+01  0.630355D+01  0.311965D+01  0.866690D+00 -0.250775D+01
      3  -0.202354D+01 -0.200406D+01 -0.844974D+00  0.793130D+00  0.502226D+01
                41            42            43            44            45 
      1   0.206970D+01 -0.487141D+01  0.216188D+01  0.303907D+01 -0.284959D+01
      2   0.241338D+01  0.184419D+01 -0.396121D+01  0.241578D+01  0.489193D+01
      3  -0.822702D+01 -0.197594D+01  0.265313D+01 -0.981021D+00 -0.305596D+01
                46            47            48            49            50 
      1   0.228970D+01 -0.690861D+01  0.179207D+01 -0.741897D+01 -0.687616D+01
      2  -0.106409D+02 -0.433176D+01  0.148107D+02 -0.294611D+01  0.264936D+01
      3  -0.428208D+01  0.170014D+01  0.112398D+01  0.629486D+01  0.565065D+01
                51            52            53            54            55 
      1  -0.985911D+01  0.107399D+01 -0.309814D+01  0.447822D+01 -0.826411D+00
      2   0.590436D+00  0.725740D+01  0.461278D+00  0.229989D+01  0.146001D+01
      3   0.423376D+01  0.130174D+01  0.321181D+01 -0.116760D+01  0.482613D+01
                56            57            58            59            60 
      1   0.935647D+00 -0.682979D+01  0.629364D+00 -0.493231D+01 -0.843632D+00
      2  -0.131895D+00  0.482064D+01 -0.710317D+00  0.141720D+01 -0.605226D+00
      3  -0.928750D+01  0.184379D+01  0.264495D+01  0.705865D+01 -0.206400D+01
                61            62            63            64            65 
      1  -0.593508D+01  0.870553D+01  0.590715D+01 -0.102999D+01 -0.291131D+01
      2   0.427881D-01 -0.312417D+00  0.179936D+00 -0.145092D+01  0.249934D+01
      3   0.147519D+01 -0.283263D+01  0.762338D+01  0.248910D+01 -0.890177D+01
                66            67            68            69            70 
      1   0.168307D+01  0.486555D+00  0.242151D+01 -0.337427D+01 -0.560915D+00
      2   0.954568D+01  0.102966D+01 -0.537816D+01 -0.346489D+01  0.287567D+01
      3  -0.716507D+00 -0.782512D-02  0.733550D+01  0.417476D+01  0.450237D+01
                71            72            73            74            75 
      1   0.413193D+01 -0.234715D+01  0.104851D+01 -0.193026D+00  0.266669D+00
      2  -0.321833D+01 -0.129487D+02  0.855508D+00 -0.523122D+00 -0.258709D+00
      3   0.740572D+01  0.367562D+01  0.260024D+00 -0.605766D+00 -0.634426D+00
                76            77            78            79            80 
      1  -0.231009D+00  0.179744D+00  0.232537D+00  0.133227D-01  0.379725D+01
      2  -0.136505D+01  0.271210D+00 -0.148092D+00 -0.353967D+01  0.191424D+00
      3   0.148768D+01 -0.144993D-01 -0.410526D+00  0.401130D+00 -0.180281D+00
                81            82            83            84            85 
      1   0.245595D+01 -0.126892D+01 -0.300458D-02 -0.643630D+00 -0.157959D+00
      2   0.797047D+00 -0.128812D+01 -0.192335D+00  0.320918D+00 -0.255113D+00
      3  -0.285380D+00  0.407756D+01  0.194399D+01  0.980652D+00  0.626833D+01
                86            87            88            89            90 
      1  -0.299993D+00 -0.376651D+01 -0.136972D+00  0.190718D+00 -0.192589D+00
      2  -0.103189D+01 -0.103633D+01 -0.176488D+01 -0.140843D+01 -0.428039D-01
      3   0.932475D+01  0.153371D+01  0.158893D+01  0.152082D+01  0.167407D+01
                91            92            93            94            95 
      1   0.346694D+01  0.213720D+01 -0.187670D+01  0.182554D+01  0.173900D+01
      2  -0.513290D+01 -0.304622D+01  0.352661D+01 -0.215914D+01 -0.176368D+01
      3   0.286529D+01 -0.288563D+01 -0.562329D+00  0.416875D+00 -0.168668D+01
                96            97            98            99           100 
      1  -0.892515D+00 -0.183590D+01 -0.758914D+00  0.114016D+01  0.117028D+01
      2   0.135493D+01  0.283085D+01  0.168140D+01 -0.221833D+01 -0.158064D+01
      3   0.176605D+00 -0.329669D+00  0.138473D+01 -0.241958D+00 -0.367469D+01
               101           102           103           104           105 
      1  -0.169591D+01  0.334588D+01 -0.174026D+01  0.189758D+01 -0.385993D+01
      2   0.958690D+00  0.236047D-01  0.138036D+01 -0.124053D+01  0.301759D+00
      3   0.343991D+01 -0.256913D+01  0.628862D+01 -0.526155D+01  0.312397D+01
               106           107           108           109           110 
      1   0.262401D+01 -0.228887D+01  0.392158D+01 -0.982570D+00  0.126749D+01
      2  -0.224088D+01  0.962418D+00 -0.713821D+00  0.879021D+00  0.220598D+00
      3  -0.489181D+01  0.397317D+01 -0.390126D+01 -0.807437D+00 -0.559610D-01
               111           112           113           114           115 
      1   0.256755D+01  0.150071D+01 -0.294079D+01 -0.339892D+01  0.230457D+01
      2  -0.412976D+00  0.148781D+00  0.124286D+00  0.326537D+00 -0.258350D+01
      3   0.110285D+01  0.162335D+01 -0.110097D+01 -0.156509D+01  0.397391D+01
               116           117           118           119           120 
      1  -0.251202D+01 -0.122888D+02  0.246421D+01  0.344723D+01  0.103773D+01
      2   0.452416D+00  0.747661D+00 -0.275675D+00 -0.942190D+00  0.432954D+00
      3  -0.157409D+01 -0.283890D+01 -0.106173D+01 -0.327223D+01 -0.123240D+01
               121           122           123           124           125 
      1   0.294685D+01  0.134514D+02  0.182052D+01  0.154527D+01  0.402526D+01
      2  -0.268331D+01 -0.264306D+00  0.284129D+01 -0.201067D+01  0.794376D+00
      3  -0.236142D+00 -0.899576D+01 -0.228109D+01 -0.619948D+00 -0.159588D+01
               126           127           128           129           130 
      1   0.285281D+01  0.158513D+00 -0.237565D+01 -0.120459D+01 -0.856211D+00
      2   0.734297D+00  0.170062D+02  0.207171D+01 -0.652854D+01  0.183038D+01
      3  -0.216082D+01  0.419114D+01 -0.483845D+00 -0.146770D+01  0.197106D+01
               131           132           133           134           135 
      1   0.188834D+00  0.713071D+00 -0.527629D+00  0.270089D+01  0.573496D+00
      2   0.212053D+01 -0.145136D+01 -0.848261D+01 -0.153745D+01  0.696625D+01
      3   0.438319D+00 -0.143537D+01 -0.127498D+01 -0.250990D+00  0.172844D+01
               136           137           138           139           140 
      1  -0.290196D+01  0.478785D+01 -0.225560D+00  0.391315D+01 -0.504853D+01
      2  -0.385967D+01  0.248278D+01  0.701539D+00  0.363974D+01 -0.136252D+01
      3   0.439575D+00 -0.366058D+01  0.586719D+00 -0.421128D+00  0.369628D+01
               141           142           143           144           145 
      1   0.788665D+00 -0.125770D+01  0.323690D+01 -0.126272D+01 -0.295332D-01
      2  -0.181386D+01 -0.298716D+01 -0.786219D-01  0.767241D+00 -0.239281D+01
      3  -0.235120D+01 -0.225867D+00 -0.217105D+01  0.139265D+01  0.113704D+01
               146           147           148           149           150 
      1  -0.980739D-01 -0.804547D-01 -0.421926D+00  0.526198D-01 -0.505602D+00
      2  -0.391005D+00 -0.132401D+00 -0.705662D+00 -0.211512D+01 -0.366828D+01
      3  -0.119673D+01  0.389626D+00 -0.561590D+00  0.373015D+00  0.273516D+01
               151           152           153           154           155 
      1   0.344239D+00  0.368015D+01 -0.276744D+01 -0.137566D+01 -0.184358D+01
      2  -0.997539D+00 -0.313203D+01 -0.245662D+02  0.214491D+01  0.956092D+00
      3   0.600961D+00  0.351510D+01  0.286115D+01 -0.448345D+01 -0.615903D+01
               156           157           158           159           160 
      1  -0.563198D+00 -0.185020D+01 -0.510320D+01 -0.200991D+01 -0.136577D+00
      2   0.195204D+01  0.109336D+01  0.263676D+01  0.387576D+01  0.748961D+00
      3   0.402718D+00 -0.431560D+01 -0.190924D+02 -0.323592D+00  0.169715D+00
               161           162           163           164           165 
      1   0.565333D+00 -0.617860D+00  0.275214D+01 -0.187553D+01  0.187201D+01
      2   0.167650D+01 -0.895401D+00  0.823959D+01 -0.415280D+01  0.615427D+01
      3  -0.164215D+01 -0.167839D+01  0.410015D+01 -0.761537D+01  0.112019D+01
               166           167           168           169           170 
      1  -0.226917D+01  0.193142D+01 -0.278422D+01  0.105738D+01 -0.387313D+00
      2  -0.434302D+01  0.445970D+01 -0.521950D+01  0.417370D+01 -0.333187D+01
      3  -0.539337D+01  0.689843D+01 -0.178719D+01  0.107262D+01 -0.328537D+01
               171 
      1   0.133968D+01
      2   0.267833D+01
      3   0.214586D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.209477D+01  0.131637D+02 -0.198486D+02  0.160169D+02 -0.259023D+02
      2  -0.646342D+01 -0.314273D+01  0.932771D+01 -0.565613D+01  0.950140D+01
      3   0.855819D+01 -0.100209D+02  0.105209D+02 -0.103608D+02  0.164009D+02
      4   0.172662D+02 -0.213218D+02  0.634819D+01 -0.292737D+02 -0.141730D+02
      5  -0.216333D+02  0.277010D+01  0.790110D+01  0.193565D+01 -0.393623D+01
      6   0.145016D+01  0.244769D+01 -0.116787D+01  0.302994D+01  0.589170D+01
                 6             7             8             9            10 
      1   0.501871D+01 -0.249387D+02  0.762395D+01  0.157965D+02 -0.963298D+01
      2   0.158180D+01  0.898300D+01  0.539692D+00  0.685048D+01  0.436830D+00
      3  -0.660051D+01  0.159557D+02 -0.816364D+01 -0.226470D+02  0.919615D+01
      4  -0.629125D+01  0.906562D+01 -0.860447D+01  0.859678D+01 -0.337447D+01
      5   0.753113D+01  0.366893D+01  0.760663D+01  0.303251D+02  0.161030D+02
      6  -0.616270D+00  0.612200D+00 -0.109857D+01 -0.113197D+02 -0.463143D+01
                11            12            13            14            15 
      1  -0.810406D+00  0.136512D+02 -0.188576D+01  0.188944D+02  0.258485D+01
      2  -0.230968D+01 -0.873438D+01 -0.111428D+01 -0.242520D+02 -0.396298D+01
      3   0.312009D+01 -0.491683D+01  0.300003D+01  0.535757D+01  0.137813D+01
      4   0.805998D+01 -0.392603D+01  0.161604D+02  0.463273D+01  0.389694D+01
      5  -0.969231D+00 -0.367826D+01 -0.571981D+00  0.402598D+01 -0.241110D+01
      6   0.238732D+00  0.133392D+01  0.454919D+00 -0.595728D+01  0.401821D+01
                16            17            18            19            20 
      1   0.177922D+02  0.373472D+00  0.569050D+00 -0.976277D+01 -0.578351D+01
      2  -0.845118D+01 -0.179943D+01  0.212836D+01  0.129479D+02  0.154982D+01
      3  -0.934101D+01  0.142596D+01 -0.269741D+01 -0.318511D+01  0.423369D+01
      4  -0.546674D+01  0.399950D+01 -0.712799D+00 -0.304053D+01 -0.177824D+01
      5  -0.333403D+01 -0.459021D+00 -0.140919D+02 -0.398124D+01 -0.146488D+01
      6  -0.149686D+00 -0.106278D+01  0.260291D+01 -0.490325D+00 -0.882461D+00
                21            22            23            24            25 
      1  -0.520807D+00  0.610983D+00 -0.288364D+00  0.163722D+01 -0.542952D+01
      2   0.175859D+01 -0.264835D+01 -0.522099D+01  0.128209D+00  0.195188D+01
      3  -0.123778D+01  0.203737D+01  0.550935D+01 -0.176543D+01  0.347764D+01
      4   0.920327D+00 -0.129135D+02 -0.149231D+01 -0.427816D+00  0.329317D+01
      5   0.144885D+01  0.200242D+01  0.740543D+00  0.253641D+01  0.190767D+01
      6   0.160722D+00  0.611325D-02  0.333180D+01 -0.331365D+01 -0.376642D+00
                26            27            28            29            30 
      1   0.514785D+01  0.107921D+02 -0.443200D+01  0.114890D+02  0.293266D+00
      2  -0.305217D+01  0.131621D+02  0.778315D-01 -0.656810D+01 -0.454550D+01
      3  -0.209568D+01 -0.239542D+02  0.435417D+01 -0.492092D+01  0.425223D+01
      4  -0.811228D+00 -0.123492D+01  0.123654D+02 -0.695512D+01 -0.698152D+01
      5  -0.523269D+00 -0.794825D+00  0.786615D+01 -0.661287D+01 -0.103060D+02
      6   0.302329D+01  0.106644D+01 -0.347321D+01  0.923164D+00 -0.141144D+01
                31            32            33            34            35 
      1   0.148003D+02  0.346984D+01 -0.441093D+01  0.118138D+02 -0.541029D+01
      2  -0.886388D+01 -0.687868D+01  0.838935D+01 -0.710901D+01 -0.959356D+00
      3  -0.593640D+01  0.340884D+01 -0.397842D+01 -0.470484D+01  0.636964D+01
      4  -0.560459D+01 -0.152093D+01 -0.551021D+00 -0.113532D+02  0.646353D+01
      5  -0.142618D+02  0.271812D+00 -0.132417D+01 -0.769689D+01  0.938621D+00
      6  -0.321519D+01 -0.596632D+01 -0.220040D+01 -0.189580D+01 -0.725763D+00
                36            37            38            39            40 
      1  -0.701111D+01 -0.165610D+02 -0.664728D+01  0.702316D+01 -0.672228D+01
      2   0.368574D+01  0.397610D+01  0.185783D+01 -0.379498D+01  0.351357D+01
      3   0.332537D+01  0.125849D+02  0.478945D+01 -0.322818D+01  0.320871D+01
      4   0.273375D+01 -0.138782D+02 -0.402035D+01  0.601774D+01  0.566368D+01
      5   0.144094D+02  0.675471D+01  0.346725D+01  0.643775D+01  0.702222D+01
      6  -0.526134D+01  0.515929D+01  0.230550D+01  0.118640D+01  0.519102D+01
                41            42            43            44            45 
      1  -0.161698D+02 -0.766749D+00  0.108591D+02  0.168705D+01 -0.452878D+01
      2   0.221614D+02  0.225719D+00 -0.403911D+01  0.167145D+01 -0.259741D+01
      3  -0.599160D+01  0.541030D+00 -0.682004D+01 -0.335849D+01  0.712620D+01
      4   0.159980D+02  0.688767D+01  0.128889D+02  0.102307D+02  0.564560D+01
      5   0.717277D+01  0.722843D+01  0.993240D+01  0.854853D+01  0.126432D+02
      6   0.880373D+01  0.978360D+01  0.288532D+01  0.103454D+02  0.850888D+01
                46            47            48            49            50 
      1   0.122937D+02  0.518570D+01 -0.129798D+02  0.435630D+01 -0.610624D+01
      2   0.183572D+01 -0.613141D+00  0.287287D+01 -0.108296D+01  0.990164D+01
      3  -0.141294D+02 -0.457256D+01  0.101069D+02 -0.327334D+01 -0.379540D+01
      4   0.529625D+01 -0.145623D+02  0.870630D+01 -0.163413D+02 -0.354531D+01
      5  -0.684298D+01  0.950170D+01 -0.130943D+02  0.826692D+01 -0.208831D+02
      6   0.138923D+02 -0.135120D+02  0.129459D+00 -0.149091D+02 -0.604180D+01
                51            52            53            54            55 
      1   0.383803D+00 -0.116450D+02 -0.135090D+01 -0.630356D+01  0.112099D+02
      2  -0.491798D+00  0.171846D+01  0.286898D+00 -0.694585D+01 -0.812591D+01
      3   0.107996D+00  0.992656D+01  0.106400D+01  0.132494D+02 -0.308400D+01
      4  -0.124695D+02  0.701274D+01 -0.849078D+01  0.193693D+01  0.393049D+01
      5   0.476702D+01 -0.124942D+02  0.205862D+01  0.126783D+02 -0.113315D+01
      6  -0.138113D+02  0.820864D+00 -0.100568D+02  0.275828D+01  0.399911D+01
                56            57            58            59            60 
      1  -0.109772D+02  0.214302D+01 -0.848292D+01 -0.750311D+01 -0.229310D+01
      2   0.169978D+02 -0.259861D+01  0.150873D+02  0.184900D+02  0.434914D+01
      3  -0.602060D+01  0.455588D+00 -0.660434D+01 -0.109869D+02 -0.205604D+01
      4  -0.119846D+01  0.254784D+01  0.694207D+01  0.170997D+02 -0.291566D+01
      5   0.189933D+01  0.197960D+01  0.594407D+00 -0.342552D+01  0.125372D+01
      6  -0.689876D+01  0.117762D+02 -0.576209D+01  0.433522D+01 -0.254349D+01
                61            62            63            64            65 
      1   0.379861D+01 -0.114193D+01  0.418545D+01  0.377629D+02 -0.103274D+02
      2  -0.326646D+01  0.427848D+01 -0.994048D+01 -0.202455D+02  0.376244D+01
      3  -0.532151D+00 -0.313655D+01  0.575502D+01 -0.175174D+02  0.656497D+01
      4   0.281896D+01 -0.229326D+01  0.105241D+02 -0.172911D+02  0.187073D+02
      5   0.453905D+01  0.348345D+01 -0.261677D+01 -0.166293D+02  0.728595D+01
      6   0.122324D+02 -0.584447D+01 -0.786059D+01  0.270671D+01 -0.207656D+01
                66            67            68            69            70 
      1  -0.931916D+01 -0.129762D+02  0.286323D+01  0.123803D+01 -0.131258D+02
      2   0.989971D+01  0.512960D+01  0.443622D+01 -0.250591D+01  0.922286D+01
      3  -0.580554D+00  0.784657D+01 -0.729945D+01  0.126787D+01  0.390296D+01
      4   0.743064D+01  0.179347D+02 -0.175913D+02 -0.880194D+01  0.659737D+01
      5   0.187262D+02  0.695536D+01 -0.907518D+01 -0.707733D+01  0.206086D+02
      6  -0.254557D+01 -0.376306D+01  0.306567D+01  0.730761D+01 -0.277610D+01
                71            72            73            74            75 
      1   0.115540D+01  0.357361D+01  0.538728D+00  0.266867D+00  0.895001D-03
      2  -0.103400D+01 -0.142817D+02 -0.449489D+01  0.433551D+00 -0.304324D+00
      3  -0.121408D+00  0.107081D+02  0.395617D+01 -0.700418D+00  0.303429D+00
      4  -0.118207D+02 -0.102619D+02  0.862584D-01  0.140426D+01 -0.666149D+00
      5  -0.879999D+01 -0.270529D+02  0.785259D-01  0.729485D-01  0.608241D+01
      6   0.673236D+01  0.466600D+01 -0.410636D+00  0.285869D-01 -0.505305D-01
                76            77            78            79            80 
      1   0.100733D+01 -0.381042D+01 -0.117893D+01  0.740523D+00  0.395547D+00
      2   0.334772D+00  0.124735D+00 -0.172019D+01 -0.128452D+00 -0.240284D+01
      3  -0.134210D+01  0.368569D+01  0.289911D+01 -0.612071D+00  0.200729D+01
      4   0.238779D+01 -0.154266D+00  0.741272D-01 -0.384902D+00  0.310115D+00
      5   0.874324D-01 -0.239902D+00 -0.255400D+00  0.518913D+01  0.266588D+00
      6   0.152808D+00  0.450136D+00  0.650047D+01  0.540746D-01  0.485404D+01
                81            82            83            84            85 
      1  -0.203365D+02 -0.102762D+01 -0.376843D+01 -0.216018D+01 -0.553813D+01
      2  -0.170951D+02  0.486127D+01  0.515341D+01  0.195597D+01  0.649031D+01
      3   0.374316D+02 -0.383365D+01 -0.138498D+01  0.204209D+00 -0.952172D+00
      4   0.687576D+00  0.899222D+00  0.409174D+01  0.901065D+00  0.261817D+01
      5   0.156844D+01 -0.131633D+01  0.654743D+00  0.123837D+01  0.109884D+01
      6  -0.316681D+01  0.142371D+01  0.109560D+01  0.778214D+00  0.853726D+00
                86            87            88            89            90 
      1  -0.203645D+02 -0.155246D+01 -0.330787D+01 -0.259859D+01 -0.439924D+01
      2   0.337034D+02  0.429311D+01  0.217881D+01  0.337773D+01  0.306068D+01
      3  -0.133389D+02 -0.274065D+01  0.112905D+01 -0.779136D+00  0.133856D+01
      4  -0.930518D+01 -0.171727D+01  0.434173D+00 -0.156587D+01 -0.108120D+01
      5  -0.166027D+01 -0.281597D+01  0.232080D+01 -0.165507D+01  0.691355D+00
      6   0.585698D+01  0.556108D+01  0.157863D+01  0.765518D+01  0.282982D+01
                91            92            93            94            95 
      1   0.354377D+02  0.147872D+02 -0.258318D+01  0.575384D+01  0.475598D+01
      2  -0.125351D+02 -0.290059D+01  0.280625D+00  0.103563D+01  0.233914D+01
      3  -0.229026D+02 -0.118866D+02  0.230255D+01 -0.678947D+01 -0.709512D+01
      4   0.278669D+02  0.189752D+02 -0.133327D+01  0.125810D+02  0.121663D+02
      5   0.182071D+01  0.127006D+01  0.473646D+01  0.304244D+00  0.526549D+00
      6  -0.120227D+01  0.123082D+00  0.239674D+01  0.241518D+00  0.141720D+00
                96            97            98            99           100 
      1  -0.450325D+00 -0.980220D+01 -0.454496D+01  0.324657D+01 -0.233932D+01
      2  -0.338342D+00  0.303523D+01  0.227699D+00 -0.139432D+01  0.547412D+01
      3   0.788667D+00  0.676697D+01  0.431726D+01 -0.185225D+01 -0.313480D+01
      4  -0.798899D+00 -0.930414D+01 -0.691044D+01  0.428189D+01 -0.578476D+01
      5   0.170358D+01  0.546805D+01  0.286080D+01 -0.202817D+01  0.303467D+01
      6   0.174510D+01  0.337729D+01  0.259488D+01 -0.162920D+01 -0.615111D+01
               101           102           103           104           105 
      1   0.811841D+01 -0.376207D+01  0.615570D+01 -0.148043D+02  0.637611D+01
      2  -0.127038D+02  0.449836D+01 -0.989080D+01  0.233960D+02 -0.875011D+01
      3   0.458539D+01 -0.736286D+00  0.373510D+01 -0.859171D+01  0.237400D+01
      4   0.103671D+02 -0.503994D+01  0.892405D+01 -0.103713D+02  0.482121D+01
      5  -0.329358D+01  0.386447D+01 -0.197871D+01  0.341440D+01 -0.188889D+01
      6   0.933385D+01 -0.787658D+01  0.708769D+01 -0.141458D+02  0.102605D+02
               106           107           108           109           110 
      1  -0.478195D+01  0.948023D+01 -0.848120D+01 -0.105154D+01  0.258914D+01
      2   0.506444D+01 -0.108337D+02  0.628751D+01  0.162653D+01 -0.393280D+01
      3  -0.282488D+00  0.135351D+01  0.219369D+01 -0.574992D+00  0.134366D+01
      4  -0.598393D+01  0.629071D+01 -0.587498D+01  0.216861D+00  0.350312D+01
      5   0.349236D+01 -0.307543D+01  0.323474D+01 -0.130271D+01 -0.381485D+00
      6  -0.783969D+01  0.142608D+02 -0.122937D+02  0.866805D+00 -0.221272D+01
               111           112           113           114           115 
      1   0.138953D+01  0.133727D+01 -0.474429D+01 -0.305590D+01  0.870762D+00
      2  -0.210422D+01 -0.194329D+01  0.708501D+01  0.444961D+01 -0.184684D+01
      3   0.714694D+00  0.606024D+00 -0.234072D+01 -0.139370D+01  0.976073D+00
      4   0.609967D+00  0.374243D+01 -0.218023D+01 -0.177405D+01  0.366990D+01
      5   0.163117D+01 -0.210887D+00 -0.288808D+00 -0.338641D+00  0.604210D+00
      6  -0.408123D+01 -0.210250D+01  0.433715D+01  0.769928D+01 -0.436083D+01
               116           117           118           119           120 
      1  -0.700223D+01 -0.679081D+01  0.359476D+01  0.310467D+01  0.180696D+01
      2   0.966054D+01  0.443104D+01 -0.367871D+01 -0.267308D+01 -0.310581D+01
      3  -0.265832D+01  0.235977D+01  0.839470D-01 -0.431597D+00  0.129886D+01
      4  -0.221086D+01 -0.389408D+01  0.505911D+01  0.817384D+01  0.185420D+01
      5  -0.996710D+00 -0.875199D-01  0.706439D+01  0.503242D+01  0.802910D+01
      6   0.801510D+01  0.177929D+02  0.291422D+01  0.669984D+01  0.254040D+01
               121           122           123           124           125 
      1   0.444396D+01 -0.211621D+01 -0.393864D+01  0.703598D+00 -0.238118D+01
      2  -0.395532D+01  0.129912D+01 -0.539382D+01 -0.168074D+01 -0.286194D+01
      3  -0.488644D+00  0.817088D+00  0.933246D+01  0.977142D+00  0.524312D+01
      4   0.822412D+01  0.158953D+02  0.725690D+01  0.117090D+01  0.451469D+01
      5   0.793119D+01  0.117037D+02  0.100313D+02  0.568676D+01  0.563835D+01
      6   0.718261D+01  0.193512D+02  0.106271D+02  0.255909D+01  0.950266D+01
               126           127           128           129           130 
      1  -0.300850D+01 -0.968952D+01 -0.394509D+01  0.138695D+02 -0.308075D+01
      2  -0.227490D+01 -0.947195D+00  0.144813D+01  0.378945D+01  0.158195D+01
      3   0.528340D+01  0.106367D+02  0.249696D+01 -0.176589D+02  0.149881D+01
      4   0.422047D+01  0.452326D+01  0.293889D+01 -0.323971D+01  0.375608D+01
      5   0.510949D+01 -0.135544D+02 -0.284548D+01  0.628558D+01 -0.277747D+01
      6   0.576156D+01 -0.568067D+01 -0.459764D+01  0.567623D+01 -0.292703D+01
               131           132           133           134           135 
      1  -0.353144D+01  0.301443D+01  0.104595D+02  0.274504D+01 -0.133140D+02
      2   0.891575D+00 -0.520659D+00  0.245348D+01 -0.266534D+00 -0.563268D+01
      3   0.263987D+01 -0.249377D+01 -0.129130D+02 -0.247851D+01  0.189467D+02
      4   0.127325D+01  0.807698D+00 -0.226570D+01  0.319670D+00  0.185866D+01
      5   0.448875D+00  0.248253D+00  0.818339D+01  0.926123D+00 -0.548038D+01
      6  -0.263706D+01  0.661692D+01  0.360525D+01  0.579366D+01 -0.522250D+01
               136           137           138           139           140 
      1   0.118570D+02 -0.453706D+01  0.299492D+01 -0.508210D+01 -0.150260D+01
      2  -0.900879D+01  0.153946D+01 -0.689981D+01  0.156431D+01  0.419936D+01
      3  -0.284820D+01  0.299760D+01  0.390489D+01  0.351779D+01 -0.269677D+01
      4  -0.146615D+02  0.136607D+02 -0.841944D+01  0.148087D+02 -0.155802D+02
      5   0.204864D+02 -0.119940D+02  0.176384D+02 -0.134751D+02  0.140950D+02
      6  -0.112073D+02  0.113536D+02 -0.867649D+01  0.114949D+02 -0.155824D+02
               141           142           143           144           145 
      1   0.325965D+01  0.203431D+01  0.243998D+01 -0.250780D+01  0.738961D+00
      2   0.215747D+01 -0.525337D+01  0.189667D+01 -0.577951D+01 -0.263909D+01
      3  -0.541713D+01  0.321907D+01 -0.433665D+01  0.828731D+01  0.190013D+01
      4   0.991224D+01 -0.553623D+01  0.620210D+01 -0.770196D+01 -0.201633D+01
      5  -0.127057D+02  0.133981D+02 -0.881718D+01  0.133819D+02 -0.323507D+01
      6   0.138915D+02 -0.670823D+01  0.102562D+02 -0.104221D+02  0.159328D+01
               146           147           148           149           150 
      1  -0.235485D+01 -0.511120D+01 -0.339945D+01 -0.218893D+00 -0.332489D+01
      2   0.100133D+01  0.259842D+01  0.149725D+01 -0.671141D+00 -0.387870D-01
      3   0.135352D+01  0.251277D+01  0.190220D+01  0.890035D+00  0.336368D+01
      4   0.301075D+01  0.736785D+00  0.560740D+01 -0.183574D+01 -0.548082D+01
      5   0.694625D+00  0.591040D+01  0.198270D+01 -0.514460D+01 -0.626120D+01
      6   0.126138D+00  0.575074D+00 -0.160050D+01  0.348094D+01  0.841815D+01
               151           152           153           154           155 
      1  -0.678057D+01 -0.312042D+01 -0.158408D+02  0.127967D+02  0.863467D+01
      2   0.737675D+01 -0.284890D+00 -0.190287D+02 -0.366573D+01 -0.334347D+01
      3  -0.596185D+00  0.340531D+01  0.348696D+02 -0.913100D+01 -0.529121D+01
      4   0.202809D+01 -0.627246D+01 -0.665310D+01  0.916475D+01  0.144565D+02
      5   0.146496D+02 -0.616518D+01 -0.459372D+02  0.142990D+00 -0.166762D+01
      6  -0.254309D+01  0.843775D+01  0.131514D+02 -0.184296D+01 -0.262638D+01
               156           157           158           159           160 
      1   0.175014D+01  0.170326D+02  0.110282D+02 -0.105767D+01  0.561331D+01
      2  -0.523548D+00 -0.721754D+01  0.170879D+01  0.163781D+01 -0.193465D+01
      3  -0.122659D+01 -0.981505D+01 -0.127370D+02 -0.580140D+00 -0.367866D+01
      4  -0.560092D+00  0.172150D+02  0.318076D+02  0.327159D+00  0.213097D+00
      5   0.252896D+01 -0.413175D+01 -0.267981D+00  0.748216D+01  0.360227D+01
      6   0.725859D+00 -0.246220D+01 -0.736802D+01  0.229007D+01  0.104428D+01
               161           162           163           164           165 
      1   0.283905D+00 -0.166127D+00  0.480030D+02 -0.180528D+02  0.775236D+01
      2   0.335765D+00 -0.156518D+01 -0.182528D+02  0.437592D+01 -0.256552D+01
      3  -0.619670D+00  0.173131D+01 -0.297502D+02  0.136768D+02 -0.518685D+01
      4   0.275771D+01  0.347379D+01 -0.265261D+02  0.201969D+02 -0.405262D+01
      5   0.408150D+01 -0.252063D+01  0.356942D+01 -0.156567D+01  0.781649D+01
      6   0.278683D+01  0.840742D+00  0.108428D+01 -0.186930D+01 -0.146954D+01
               166           167           168           169           170 
      1  -0.244153D+02  0.142441D+02 -0.271939D+01  0.169309D+02 -0.501811D+01
      2   0.627327D+01  0.139832D+01 -0.101729D+01 -0.647009D+01 -0.162179D-01
      3   0.181420D+02 -0.156424D+02  0.373668D+01 -0.104608D+02  0.503433D+01
      4   0.257989D+02 -0.210215D+02  0.453679D+01 -0.889809D+01  0.789138D+01
      5  -0.773684D+00  0.252198D+01 -0.770365D+01  0.850511D+01 -0.581582D+01
      6  -0.166105D+01  0.506630D+00  0.294213D+01 -0.201782D+01  0.224029D+01
               171 
      1   0.440751D+01
      2  -0.318789D+01
      3  -0.121962D+01
      4  -0.654461D+01
      5   0.386088D+01
      6  -0.948739D+00
 Leave Link  716 at Thu Aug 12 21:41:52 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.882314D+02  0.101525D+00 -0.270751D+01
      2   0.101525D+00  0.777100D+02  0.185427D+01
      3  -0.270751D+01  0.185427D+01  0.751767D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.175111D+01  0.898098D+00  0.176142D-01
      2   0.577460D+01 -0.621096D+01  0.346944D+02
      3   0.688978D+01 -0.265122D+02  0.707147D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.731744D+02 -0.249666D+02  0.529397D+01
      2  -0.403135D+02  0.240379D+02 -0.117610D+02
      3  -0.328609D+02  0.928683D+00  0.646698D+01
      4  -0.238563D+02  0.426325D+02 -0.170847D+02
      5   0.123347D+02 -0.192535D+02  0.685436D+02
      6  -0.515932D+01  0.261201D-02 -0.632719D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.153550D+00  0.236505D+01 -0.388001D+01  0.370561D+01 -0.425575D+01
      2   0.236505D+01 -0.347400D+01  0.721000D+00 -0.425575D+01 -0.331824D+01
      3  -0.388001D+01  0.721000D+00  0.141010D+01  0.514123D+00 -0.127059D+01
                 6             7             8             9            10 
      1   0.514123D+00 -0.517485D+01  0.978273D+00  0.325119D-01  0.174518D+01
      2  -0.127059D+01  0.978273D+00 -0.139891D+01  0.165618D+01 -0.213137D+01
      3   0.190056D+01  0.325119D-01  0.165618D+01  0.743356D+01  0.423595D+01
                11            12            13            14            15 
      1  -0.213137D+01  0.423595D+01 -0.552496D+01  0.433335D+01 -0.364482D-01
      2   0.421297D+01 -0.173015D+00  0.433335D+01  0.488906D+01  0.231795D+01
      3  -0.173015D+00 -0.106793D+01 -0.364482D-01  0.231795D+01 -0.889228D+00
                16            17            18            19            20 
      1   0.637508D+01 -0.466369D+00 -0.534026D+00 -0.207367D+01  0.567952D+01
      2  -0.466369D+00  0.259327D+01 -0.271459D+00  0.567952D+01 -0.724284D+00
      3  -0.534026D+00 -0.271459D+00 -0.586748D+01 -0.151998D+01  0.133767D+00
                21            22            23            24            25 
      1  -0.151998D+01  0.603899D+01 -0.116682D+01  0.364932D+00 -0.381968D+01
      2   0.133767D+00 -0.116682D+01 -0.879335D+00 -0.959669D+00 -0.242259D+00
      3  -0.316569D+00  0.364932D+00 -0.959669D+00  0.178141D+01 -0.446747D+00
                26            27            28            29            30 
      1  -0.242259D+00 -0.446747D+00 -0.300197D+00 -0.390440D+01 -0.585456D+00
      2  -0.195650D+01  0.129334D+01 -0.390440D+01  0.276484D+00  0.145637D+01
      3   0.129334D+01  0.652906D+01 -0.585456D+00  0.145637D+01  0.418927D+00
                31            32            33            34            35 
      1  -0.329242D+01 -0.543727D-01  0.163194D+01 -0.300645D+01  0.199478D+01
      2  -0.543727D-01 -0.833574D+00  0.438070D+00  0.199478D+01  0.289124D+00
      3   0.163194D+01  0.438070D+00 -0.153056D+01  0.122627D+01 -0.116128D+01
                36            37            38            39            40 
      1   0.122627D+01  0.524822D+01  0.164546D+01 -0.167231D+01  0.454918D+00
      2  -0.116128D+01  0.164546D+01  0.172458D+01 -0.675532D+00  0.185753D+00
      3  -0.255959D+01 -0.167231D+01 -0.675532D+00  0.496903D+00 -0.102179D+01
                41            42            43            44            45 
      1   0.185753D+00 -0.102179D+01 -0.303944D+01 -0.175399D+01 -0.797403D+00
      2  -0.394080D+01 -0.161224D+01 -0.175399D+01 -0.235135D+01 -0.162534D+01
      3  -0.161224D+01 -0.699419D+00 -0.797403D+00 -0.162534D+01 -0.244282D+01
                46            47            48            49            50 
      1   0.119814D+01  0.258186D+01 -0.491538D+01  0.281271D+01 -0.397074D+01
      2   0.258186D+01 -0.367920D+01  0.552303D+00 -0.397074D+01 -0.268783D+01
      3  -0.491538D+01  0.552303D+00  0.877607D+00  0.618165D+00 -0.333273D+01
                51            52            53            54            55 
      1   0.618165D+00 -0.392684D+01  0.257336D+00  0.849359D+00  0.168839D+01
      2  -0.333273D+01  0.257336D+00 -0.254538D+01  0.606655D+00 -0.137607D+01
      3   0.156130D+01  0.849359D+00  0.606655D+00  0.366756D+01  0.901722D+00
                56            57            58            59            60 
      1  -0.137607D+01  0.901722D+00 -0.112452D+01  0.278785D+01 -0.816858D+00
      2   0.394352D+01 -0.799662D+00  0.278785D+01  0.179582D+01  0.955813D+00
      3  -0.799662D+00  0.257508D+01 -0.816858D+00  0.955813D+00 -0.179620D+01
                61            62            63            64            65 
      1   0.119877D+01 -0.127765D+01  0.267494D+01 -0.664463D+01  0.264013D+01
      2  -0.127765D+01  0.114326D+01 -0.160948D+01  0.264013D+01 -0.221876D+01
      3   0.267494D+01 -0.160948D+01 -0.243599D+01  0.283085D+01 -0.122105D+01
                66            67            68            69            70 
      1   0.283085D+01  0.356852D+01 -0.230030D+01 -0.957658D+00  0.516520D+01
      2  -0.122105D+01 -0.230030D+01  0.425433D+01  0.178282D+01 -0.105499D+01
      3  -0.184709D+01 -0.957658D+00  0.178282D+01  0.180414D+01 -0.282156D+01
                71            72            73            74            75 
      1  -0.105499D+01 -0.282156D+01  0.488942D+00 -0.747480D+00 -0.109325D+01
      2   0.219708D+01  0.208697D+01 -0.747480D+00  0.266559D+00 -0.579918D-01
      3   0.208697D+01  0.553486D+01 -0.109325D+01 -0.579918D-01  0.136414D+00
                76            77            78            79            80 
      1  -0.133701D+01  0.294755D+00 -0.151296D-01 -0.130225D+01  0.217186D-01
      2   0.294755D+00  0.662549D-01 -0.112475D+01  0.217186D-01 -0.121951D+01
      3  -0.151296D-01 -0.112475D+01 -0.680330D+00 -0.253668D-01 -0.309361D+00
                81            82            83            84            85 
      1  -0.253668D-01 -0.149725D+01 -0.116552D+01 -0.890448D+00 -0.119398D+01
      2  -0.309361D+00 -0.116552D+01 -0.151832D+01 -0.352459D-01 -0.145133D+01
      3  -0.875920D+01 -0.890448D+00 -0.352459D-01 -0.271444D+00 -0.659550D-01
                86            87            88            89            90 
      1  -0.145133D+01 -0.659550D-01 -0.116483D+01 -0.862788D-01 -0.140295D+00
      2  -0.773761D+01 -0.122200D+01 -0.862788D-01 -0.117948D+01 -0.130870D+01
      3  -0.122200D+01 -0.141399D+01 -0.140295D+00 -0.130870D+01 -0.102956D+00
                91            92            93            94            95 
      1  -0.749060D+01 -0.385561D+01  0.384177D+00 -0.211343D+01 -0.187679D+01
      2  -0.385561D+01 -0.321091D+01  0.862921D-01 -0.187679D+01 -0.232757D+01
      3   0.384177D+00  0.862921D-01 -0.105388D+01  0.178806D+00  0.599356D-01
                96            97            98            99           100 
      1   0.178806D+00  0.239196D+01  0.135241D+01 -0.100831D+01 -0.105328D+01
      2   0.599356D-01  0.135241D+01  0.113076D+01 -0.590632D+00  0.188864D+01
      3  -0.511834D+00 -0.100831D+01 -0.590632D+00  0.356519D+00 -0.107921D+01
               101           102           103           104           105 
      1   0.188864D+01 -0.107921D+01  0.175990D+01 -0.223030D+01  0.107479D+01
      2  -0.268960D+01  0.135139D+01 -0.223030D+01  0.493850D+01 -0.197709D+01
      3   0.135139D+01 -0.125140D+01  0.107479D+01 -0.197709D+01  0.165759D+01
               106           107           108           109           110 
      1  -0.180107D+01  0.153443D+01 -0.143558D+01 -0.751703D-01  0.561412D+00
      2   0.153443D+01 -0.323194D+01  0.225772D+01  0.561412D+00 -0.647515D+00
      3  -0.143558D+01  0.225772D+01 -0.234658D+01  0.298279D+00 -0.545668D+00
               111           112           113           114           115 
      1   0.298279D+00  0.603223D+00 -0.346319D+00 -0.536952D+00  0.133171D+01
      2  -0.545668D+00 -0.346319D+00  0.150417D+01  0.102717D+01 -0.422946D+00
      3  -0.897302D+00 -0.536952D+00  0.102717D+01  0.118272D+01 -0.817553D+00
               116           117           118           119           120 
      1  -0.422946D+00 -0.817553D+00  0.122669D+01  0.102736D+01  0.116302D+01
      2   0.245790D+01  0.149780D+01  0.102736D+01  0.163318D+01  0.607523D+00
      3   0.149780D+01  0.443788D+01  0.116302D+01  0.607523D+00  0.891947D+00
               121           122           123           124           125 
      1   0.158458D+01  0.160269D+01  0.883329D+00  0.821551D+00  0.485853D+00
      2   0.160269D+01  0.537372D+01  0.192036D+01  0.485853D+00  0.133112D+01
      3   0.883329D+00  0.192036D+01  0.267622D+01  0.423099D+00  0.136146D+01
               126           127           128           129           130 
      1   0.423099D+00 -0.530353D+01 -0.824108D+00  0.250372D+01 -0.825564D+00
      2   0.136146D+01 -0.824108D+00 -0.813526D+00  0.619785D+00 -0.481299D+00
      3   0.116518D+01  0.250372D+01  0.619785D+00 -0.354590D+01  0.377231D+00
               131           132           133           134           135 
      1  -0.481299D+00  0.377231D+00  0.198224D+01  0.387270D+00 -0.222150D+01
      2  -0.403680D+00  0.115149D+01  0.387270D+00  0.862641D+00 -0.612844D+00
      3   0.115149D+01 -0.878718D+00 -0.222150D+01 -0.612844D+00  0.313249D+01
               136           137           138           139           140 
      1   0.392160D+01 -0.244463D+01  0.267076D+01 -0.277604D+01  0.262367D+01
      2  -0.244463D+01  0.246399D+01 -0.139116D+01  0.262367D+01 -0.328205D+01
      3   0.267076D+01 -0.139116D+01  0.238806D+01 -0.156014D+01  0.236493D+01
               141           142           143           144           145 
      1  -0.156014D+01  0.164454D+01 -0.971467D+00  0.163951D+01  0.106893D+00
      2   0.236493D+01 -0.971467D+00  0.154815D+01 -0.167615D+01 -0.359884D+00
      3  -0.263168D+01  0.163951D+01 -0.167615D+01  0.233578D+01 -0.771448D+00
               146           147           148           149           150 
      1  -0.359884D+00 -0.771448D+00 -0.776358D+00  0.721091D+00  0.188537D+00
      2   0.230397D+00 -0.124083D-01  0.721091D+00 -0.370405D+00 -0.121047D+01
      3  -0.124083D-01 -0.265989D+00  0.188537D+00 -0.121047D+01 -0.143826D+01
               151           152           153           154           155 
      1  -0.169609D+01  0.214243D+00  0.171241D+01  0.185094D+01  0.146983D+01
      2   0.214243D+00 -0.126900D+01 -0.126451D+01  0.146983D+01  0.182796D+01
      3   0.171241D+01 -0.126451D+01 -0.987216D+01  0.301530D+00 -0.140897D+00
               156           157           158           159           160 
      1   0.301530D+00  0.291981D+01  0.233387D+01 -0.435243D+00  0.943601D+00
      2  -0.140897D+00  0.233387D+01  0.571412D+01  0.404196D-01  0.502518D-01
      3   0.300115D+00 -0.435243D+00  0.404196D-01  0.119078D+01  0.507042D+00
               161           162           163           164           165 
      1   0.502518D-01  0.507042D+00  0.680978D+01 -0.305020D+01  0.111749D+01
      2   0.512343D+00  0.647558D+00 -0.305020D+01  0.239647D+01 -0.475812D+00
      3   0.647558D+00 -0.583029D+00  0.111749D+01 -0.475812D+00  0.102235D+01
               166           167           168           169           170 
      1  -0.448399D+01  0.325099D+01 -0.385672D+00  0.307684D+01 -0.100061D+01
      2   0.325099D+01 -0.275488D+01  0.650584D+00 -0.100061D+01  0.108642D+01
      3  -0.385672D+00  0.650584D+00 -0.128450D+01  0.118321D+01 -0.977918D+00
               171 
      1   0.118321D+01
      2  -0.977918D+00
      3   0.376908D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.381090D+01  0.328992D+01 -0.231164D-02  0.441675D+01  0.248921D+01
      2  -0.105360D+02  0.406234D+01  0.146283D+01  0.494365D+01 -0.707771D+01
      3  -0.632315D+01  0.674530D+01 -0.272245D+00  0.149703D+02  0.118521D+02
                 6             7             8             9            10 
      1  -0.821389D+00  0.349619D+00  0.306048D+01  0.120251D+00  0.397957D+01
      2   0.550164D+01 -0.875882D+01  0.560818D+01  0.217652D+02  0.795520D+01
      3   0.187408D+01 -0.158617D+01  0.335069D+01 -0.509490D+01  0.177698D+01
                11            12            13            14            15 
      1  -0.542405D+00 -0.449384D+00 -0.654868D+00  0.293279D+01 -0.496403D+01
      2  -0.149806D+01  0.341773D+01 -0.470741D+01  0.302225D+01 -0.138427D+01
      3  -0.575800D+01 -0.146255D+01  0.374472D+00 -0.112861D+02 -0.265635D+01
                16            17            18            19            20 
      1  -0.150711D+01  0.203991D+01 -0.288415D+01 -0.495378D+01 -0.378243D-01
      2  -0.301008D+01 -0.937930D-01 -0.592659D+01 -0.115946D+01  0.218335D+01
      3  -0.697911D-01 -0.234069D+01  0.120108D+01  0.464650D+01 -0.372598D+01
                21            22            23            24            25 
      1  -0.130630D+01  0.481480D+00  0.210774D+01  0.654790D+00 -0.975952D+00
      2   0.188461D+01  0.513818D+01 -0.176317D+01  0.169598D+01 -0.854996D+01
      3   0.140250D+01  0.244841D+01  0.601079D+00  0.903635D+00 -0.175880D+01
                26            27            28            29            30 
      1   0.488355D+01 -0.298151D+01  0.305709D+01  0.355944D+01  0.107974D+01
      2  -0.340885D+00 -0.192107D+01 -0.787995D+01 -0.240969D+01 -0.500097D+01
      3   0.713556D+00  0.146465D+00 -0.822548D+01  0.177424D+01 -0.176192D+01
                31            32            33            34            35 
      1   0.816296D+00 -0.719598D+01  0.154593D+00  0.145213D+01  0.383807D+01
      2   0.317876D+01  0.288240D+01  0.459290D+00 -0.131468D+02 -0.848599D+00
      3   0.522885D+01  0.249480D+01 -0.326308D+01 -0.698267D+01 -0.822145D+01
                36            37            38            39            40 
      1   0.633562D+01 -0.320722D+01 -0.939852D+00 -0.462793D+00 -0.630885D-01
      2   0.876287D+01  0.630355D+01  0.311965D+01  0.866690D+00 -0.250775D+01
      3  -0.202354D+01 -0.200406D+01 -0.844974D+00  0.793130D+00  0.502226D+01
                41            42            43            44            45 
      1   0.206970D+01 -0.487141D+01  0.216188D+01  0.303907D+01 -0.284959D+01
      2   0.241338D+01  0.184419D+01 -0.396121D+01  0.241578D+01  0.489193D+01
      3  -0.822702D+01 -0.197594D+01  0.265313D+01 -0.981021D+00 -0.305596D+01
                46            47            48            49            50 
      1   0.228970D+01 -0.690861D+01  0.179207D+01 -0.741897D+01 -0.687616D+01
      2  -0.106409D+02 -0.433176D+01  0.148107D+02 -0.294611D+01  0.264936D+01
      3  -0.428208D+01  0.170014D+01  0.112398D+01  0.629486D+01  0.565065D+01
                51            52            53            54            55 
      1  -0.985911D+01  0.107399D+01 -0.309814D+01  0.447822D+01 -0.826411D+00
      2   0.590436D+00  0.725740D+01  0.461278D+00  0.229989D+01  0.146001D+01
      3   0.423376D+01  0.130174D+01  0.321181D+01 -0.116760D+01  0.482613D+01
                56            57            58            59            60 
      1   0.935647D+00 -0.682979D+01  0.629364D+00 -0.493231D+01 -0.843632D+00
      2  -0.131895D+00  0.482064D+01 -0.710317D+00  0.141720D+01 -0.605226D+00
      3  -0.928750D+01  0.184379D+01  0.264495D+01  0.705865D+01 -0.206400D+01
                61            62            63            64            65 
      1  -0.593508D+01  0.870553D+01  0.590715D+01 -0.102999D+01 -0.291131D+01
      2   0.427881D-01 -0.312417D+00  0.179936D+00 -0.145092D+01  0.249934D+01
      3   0.147519D+01 -0.283263D+01  0.762338D+01  0.248910D+01 -0.890177D+01
                66            67            68            69            70 
      1   0.168307D+01  0.486555D+00  0.242151D+01 -0.337427D+01 -0.560915D+00
      2   0.954568D+01  0.102966D+01 -0.537816D+01 -0.346489D+01  0.287567D+01
      3  -0.716507D+00 -0.782512D-02  0.733550D+01  0.417476D+01  0.450237D+01
                71            72            73            74            75 
      1   0.413193D+01 -0.234715D+01  0.104851D+01 -0.193026D+00  0.266669D+00
      2  -0.321833D+01 -0.129487D+02  0.855508D+00 -0.523122D+00 -0.258709D+00
      3   0.740572D+01  0.367562D+01  0.260024D+00 -0.605766D+00 -0.634426D+00
                76            77            78            79            80 
      1  -0.231009D+00  0.179744D+00  0.232537D+00  0.133227D-01  0.379725D+01
      2  -0.136505D+01  0.271210D+00 -0.148092D+00 -0.353967D+01  0.191424D+00
      3   0.148768D+01 -0.144993D-01 -0.410526D+00  0.401130D+00 -0.180281D+00
                81            82            83            84            85 
      1   0.245595D+01 -0.126892D+01 -0.300458D-02 -0.643630D+00 -0.157959D+00
      2   0.797047D+00 -0.128812D+01 -0.192335D+00  0.320918D+00 -0.255113D+00
      3  -0.285380D+00  0.407756D+01  0.194399D+01  0.980652D+00  0.626833D+01
                86            87            88            89            90 
      1  -0.299993D+00 -0.376651D+01 -0.136972D+00  0.190718D+00 -0.192589D+00
      2  -0.103189D+01 -0.103633D+01 -0.176488D+01 -0.140843D+01 -0.428039D-01
      3   0.932475D+01  0.153371D+01  0.158893D+01  0.152082D+01  0.167407D+01
                91            92            93            94            95 
      1   0.346694D+01  0.213720D+01 -0.187670D+01  0.182554D+01  0.173900D+01
      2  -0.513290D+01 -0.304622D+01  0.352661D+01 -0.215914D+01 -0.176368D+01
      3   0.286529D+01 -0.288563D+01 -0.562329D+00  0.416875D+00 -0.168668D+01
                96            97            98            99           100 
      1  -0.892515D+00 -0.183590D+01 -0.758914D+00  0.114016D+01  0.117028D+01
      2   0.135493D+01  0.283085D+01  0.168140D+01 -0.221833D+01 -0.158064D+01
      3   0.176605D+00 -0.329669D+00  0.138473D+01 -0.241958D+00 -0.367469D+01
               101           102           103           104           105 
      1  -0.169591D+01  0.334588D+01 -0.174026D+01  0.189758D+01 -0.385993D+01
      2   0.958690D+00  0.236047D-01  0.138036D+01 -0.124053D+01  0.301759D+00
      3   0.343991D+01 -0.256913D+01  0.628862D+01 -0.526155D+01  0.312397D+01
               106           107           108           109           110 
      1   0.262401D+01 -0.228887D+01  0.392158D+01 -0.982570D+00  0.126749D+01
      2  -0.224088D+01  0.962418D+00 -0.713821D+00  0.879021D+00  0.220598D+00
      3  -0.489181D+01  0.397317D+01 -0.390126D+01 -0.807437D+00 -0.559610D-01
               111           112           113           114           115 
      1   0.256755D+01  0.150071D+01 -0.294079D+01 -0.339892D+01  0.230457D+01
      2  -0.412976D+00  0.148781D+00  0.124286D+00  0.326537D+00 -0.258350D+01
      3   0.110285D+01  0.162335D+01 -0.110097D+01 -0.156509D+01  0.397391D+01
               116           117           118           119           120 
      1  -0.251202D+01 -0.122888D+02  0.246421D+01  0.344723D+01  0.103773D+01
      2   0.452416D+00  0.747661D+00 -0.275675D+00 -0.942190D+00  0.432954D+00
      3  -0.157409D+01 -0.283890D+01 -0.106173D+01 -0.327223D+01 -0.123240D+01
               121           122           123           124           125 
      1   0.294685D+01  0.134514D+02  0.182052D+01  0.154527D+01  0.402526D+01
      2  -0.268331D+01 -0.264306D+00  0.284129D+01 -0.201067D+01  0.794376D+00
      3  -0.236142D+00 -0.899576D+01 -0.228109D+01 -0.619948D+00 -0.159588D+01
               126           127           128           129           130 
      1   0.285281D+01  0.158513D+00 -0.237565D+01 -0.120459D+01 -0.856211D+00
      2   0.734297D+00  0.170062D+02  0.207171D+01 -0.652854D+01  0.183038D+01
      3  -0.216082D+01  0.419114D+01 -0.483845D+00 -0.146770D+01  0.197106D+01
               131           132           133           134           135 
      1   0.188834D+00  0.713071D+00 -0.527629D+00  0.270089D+01  0.573496D+00
      2   0.212053D+01 -0.145136D+01 -0.848261D+01 -0.153745D+01  0.696625D+01
      3   0.438319D+00 -0.143537D+01 -0.127498D+01 -0.250990D+00  0.172844D+01
               136           137           138           139           140 
      1  -0.290196D+01  0.478785D+01 -0.225560D+00  0.391315D+01 -0.504853D+01
      2  -0.385967D+01  0.248278D+01  0.701539D+00  0.363974D+01 -0.136252D+01
      3   0.439575D+00 -0.366058D+01  0.586719D+00 -0.421128D+00  0.369628D+01
               141           142           143           144           145 
      1   0.788665D+00 -0.125770D+01  0.323690D+01 -0.126272D+01 -0.295332D-01
      2  -0.181386D+01 -0.298716D+01 -0.786219D-01  0.767241D+00 -0.239281D+01
      3  -0.235120D+01 -0.225867D+00 -0.217105D+01  0.139265D+01  0.113704D+01
               146           147           148           149           150 
      1  -0.980739D-01 -0.804547D-01 -0.421926D+00  0.526198D-01 -0.505602D+00
      2  -0.391005D+00 -0.132401D+00 -0.705662D+00 -0.211512D+01 -0.366828D+01
      3  -0.119673D+01  0.389626D+00 -0.561590D+00  0.373015D+00  0.273516D+01
               151           152           153           154           155 
      1   0.344239D+00  0.368015D+01 -0.276744D+01 -0.137566D+01 -0.184358D+01
      2  -0.997539D+00 -0.313203D+01 -0.245662D+02  0.214491D+01  0.956092D+00
      3   0.600961D+00  0.351510D+01  0.286115D+01 -0.448345D+01 -0.615903D+01
               156           157           158           159           160 
      1  -0.563198D+00 -0.185020D+01 -0.510320D+01 -0.200991D+01 -0.136577D+00
      2   0.195204D+01  0.109336D+01  0.263676D+01  0.387576D+01  0.748961D+00
      3   0.402718D+00 -0.431560D+01 -0.190924D+02 -0.323592D+00  0.169715D+00
               161           162           163           164           165 
      1   0.565333D+00 -0.617860D+00  0.275214D+01 -0.187553D+01  0.187201D+01
      2   0.167650D+01 -0.895401D+00  0.823959D+01 -0.415280D+01  0.615427D+01
      3  -0.164215D+01 -0.167839D+01  0.410015D+01 -0.761537D+01  0.112019D+01
               166           167           168           169           170 
      1  -0.226917D+01  0.193142D+01 -0.278422D+01  0.105738D+01 -0.387313D+00
      2  -0.434302D+01  0.445970D+01 -0.521950D+01  0.417370D+01 -0.333187D+01
      3  -0.539337D+01  0.689843D+01 -0.178719D+01  0.107262D+01 -0.328537D+01
               171 
      1   0.133968D+01
      2   0.267833D+01
      3   0.214586D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.209477D+01  0.131637D+02 -0.198486D+02  0.160169D+02 -0.259023D+02
      2  -0.646342D+01 -0.314273D+01  0.932771D+01 -0.565613D+01  0.950140D+01
      3   0.855819D+01 -0.100209D+02  0.105209D+02 -0.103608D+02  0.164009D+02
      4   0.172662D+02 -0.213218D+02  0.634819D+01 -0.292737D+02 -0.141730D+02
      5  -0.216333D+02  0.277010D+01  0.790110D+01  0.193565D+01 -0.393623D+01
      6   0.145016D+01  0.244769D+01 -0.116787D+01  0.302994D+01  0.589170D+01
                 6             7             8             9            10 
      1   0.501871D+01 -0.249387D+02  0.762395D+01  0.157965D+02 -0.963298D+01
      2   0.158180D+01  0.898300D+01  0.539692D+00  0.685048D+01  0.436830D+00
      3  -0.660051D+01  0.159557D+02 -0.816364D+01 -0.226470D+02  0.919615D+01
      4  -0.629125D+01  0.906562D+01 -0.860447D+01  0.859678D+01 -0.337447D+01
      5   0.753113D+01  0.366893D+01  0.760663D+01  0.303251D+02  0.161030D+02
      6  -0.616270D+00  0.612200D+00 -0.109857D+01 -0.113197D+02 -0.463143D+01
                11            12            13            14            15 
      1  -0.810406D+00  0.136512D+02 -0.188576D+01  0.188944D+02  0.258485D+01
      2  -0.230968D+01 -0.873438D+01 -0.111428D+01 -0.242520D+02 -0.396298D+01
      3   0.312009D+01 -0.491683D+01  0.300003D+01  0.535757D+01  0.137813D+01
      4   0.805998D+01 -0.392603D+01  0.161604D+02  0.463273D+01  0.389694D+01
      5  -0.969231D+00 -0.367826D+01 -0.571981D+00  0.402598D+01 -0.241110D+01
      6   0.238732D+00  0.133392D+01  0.454919D+00 -0.595728D+01  0.401821D+01
                16            17            18            19            20 
      1   0.177922D+02  0.373472D+00  0.569050D+00 -0.976277D+01 -0.578351D+01
      2  -0.845118D+01 -0.179943D+01  0.212836D+01  0.129479D+02  0.154982D+01
      3  -0.934101D+01  0.142596D+01 -0.269741D+01 -0.318511D+01  0.423369D+01
      4  -0.546674D+01  0.399950D+01 -0.712799D+00 -0.304053D+01 -0.177824D+01
      5  -0.333403D+01 -0.459021D+00 -0.140919D+02 -0.398124D+01 -0.146488D+01
      6  -0.149686D+00 -0.106278D+01  0.260291D+01 -0.490325D+00 -0.882461D+00
                21            22            23            24            25 
      1  -0.520807D+00  0.610983D+00 -0.288364D+00  0.163722D+01 -0.542952D+01
      2   0.175859D+01 -0.264835D+01 -0.522099D+01  0.128209D+00  0.195188D+01
      3  -0.123778D+01  0.203737D+01  0.550935D+01 -0.176543D+01  0.347764D+01
      4   0.920327D+00 -0.129135D+02 -0.149231D+01 -0.427816D+00  0.329317D+01
      5   0.144885D+01  0.200242D+01  0.740543D+00  0.253641D+01  0.190767D+01
      6   0.160722D+00  0.611325D-02  0.333180D+01 -0.331365D+01 -0.376642D+00
                26            27            28            29            30 
      1   0.514785D+01  0.107921D+02 -0.443200D+01  0.114890D+02  0.293266D+00
      2  -0.305217D+01  0.131621D+02  0.778315D-01 -0.656810D+01 -0.454550D+01
      3  -0.209568D+01 -0.239542D+02  0.435417D+01 -0.492092D+01  0.425223D+01
      4  -0.811228D+00 -0.123492D+01  0.123654D+02 -0.695512D+01 -0.698152D+01
      5  -0.523269D+00 -0.794825D+00  0.786615D+01 -0.661287D+01 -0.103060D+02
      6   0.302329D+01  0.106644D+01 -0.347321D+01  0.923164D+00 -0.141144D+01
                31            32            33            34            35 
      1   0.148003D+02  0.346984D+01 -0.441093D+01  0.118138D+02 -0.541029D+01
      2  -0.886388D+01 -0.687868D+01  0.838935D+01 -0.710901D+01 -0.959356D+00
      3  -0.593640D+01  0.340884D+01 -0.397842D+01 -0.470484D+01  0.636964D+01
      4  -0.560459D+01 -0.152093D+01 -0.551021D+00 -0.113532D+02  0.646353D+01
      5  -0.142618D+02  0.271812D+00 -0.132417D+01 -0.769689D+01  0.938621D+00
      6  -0.321519D+01 -0.596632D+01 -0.220040D+01 -0.189580D+01 -0.725763D+00
                36            37            38            39            40 
      1  -0.701111D+01 -0.165610D+02 -0.664728D+01  0.702316D+01 -0.672228D+01
      2   0.368574D+01  0.397610D+01  0.185783D+01 -0.379498D+01  0.351357D+01
      3   0.332537D+01  0.125849D+02  0.478945D+01 -0.322818D+01  0.320871D+01
      4   0.273375D+01 -0.138782D+02 -0.402035D+01  0.601774D+01  0.566368D+01
      5   0.144094D+02  0.675471D+01  0.346725D+01  0.643775D+01  0.702222D+01
      6  -0.526134D+01  0.515929D+01  0.230550D+01  0.118640D+01  0.519102D+01
                41            42            43            44            45 
      1  -0.161698D+02 -0.766749D+00  0.108591D+02  0.168705D+01 -0.452878D+01
      2   0.221614D+02  0.225719D+00 -0.403911D+01  0.167145D+01 -0.259741D+01
      3  -0.599160D+01  0.541030D+00 -0.682004D+01 -0.335849D+01  0.712620D+01
      4   0.159980D+02  0.688767D+01  0.128889D+02  0.102307D+02  0.564560D+01
      5   0.717277D+01  0.722843D+01  0.993240D+01  0.854853D+01  0.126432D+02
      6   0.880373D+01  0.978360D+01  0.288532D+01  0.103454D+02  0.850888D+01
                46            47            48            49            50 
      1   0.122937D+02  0.518570D+01 -0.129798D+02  0.435630D+01 -0.610624D+01
      2   0.183572D+01 -0.613141D+00  0.287287D+01 -0.108296D+01  0.990164D+01
      3  -0.141294D+02 -0.457256D+01  0.101069D+02 -0.327334D+01 -0.379540D+01
      4   0.529625D+01 -0.145623D+02  0.870630D+01 -0.163413D+02 -0.354531D+01
      5  -0.684298D+01  0.950170D+01 -0.130943D+02  0.826692D+01 -0.208831D+02
      6   0.138923D+02 -0.135120D+02  0.129459D+00 -0.149091D+02 -0.604180D+01
                51            52            53            54            55 
      1   0.383803D+00 -0.116450D+02 -0.135090D+01 -0.630356D+01  0.112099D+02
      2  -0.491798D+00  0.171846D+01  0.286898D+00 -0.694585D+01 -0.812591D+01
      3   0.107996D+00  0.992656D+01  0.106400D+01  0.132494D+02 -0.308400D+01
      4  -0.124695D+02  0.701274D+01 -0.849078D+01  0.193693D+01  0.393049D+01
      5   0.476702D+01 -0.124942D+02  0.205862D+01  0.126783D+02 -0.113315D+01
      6  -0.138113D+02  0.820864D+00 -0.100568D+02  0.275828D+01  0.399911D+01
                56            57            58            59            60 
      1  -0.109772D+02  0.214302D+01 -0.848292D+01 -0.750311D+01 -0.229310D+01
      2   0.169978D+02 -0.259861D+01  0.150873D+02  0.184900D+02  0.434914D+01
      3  -0.602060D+01  0.455588D+00 -0.660434D+01 -0.109869D+02 -0.205604D+01
      4  -0.119846D+01  0.254784D+01  0.694207D+01  0.170997D+02 -0.291566D+01
      5   0.189933D+01  0.197960D+01  0.594407D+00 -0.342552D+01  0.125372D+01
      6  -0.689876D+01  0.117762D+02 -0.576209D+01  0.433522D+01 -0.254349D+01
                61            62            63            64            65 
      1   0.379861D+01 -0.114193D+01  0.418545D+01  0.377629D+02 -0.103274D+02
      2  -0.326646D+01  0.427848D+01 -0.994048D+01 -0.202455D+02  0.376244D+01
      3  -0.532151D+00 -0.313655D+01  0.575502D+01 -0.175174D+02  0.656497D+01
      4   0.281896D+01 -0.229326D+01  0.105241D+02 -0.172911D+02  0.187073D+02
      5   0.453905D+01  0.348345D+01 -0.261677D+01 -0.166293D+02  0.728595D+01
      6   0.122324D+02 -0.584447D+01 -0.786059D+01  0.270671D+01 -0.207656D+01
                66            67            68            69            70 
      1  -0.931916D+01 -0.129762D+02  0.286323D+01  0.123803D+01 -0.131258D+02
      2   0.989971D+01  0.512960D+01  0.443622D+01 -0.250591D+01  0.922286D+01
      3  -0.580554D+00  0.784657D+01 -0.729945D+01  0.126787D+01  0.390296D+01
      4   0.743064D+01  0.179347D+02 -0.175913D+02 -0.880194D+01  0.659737D+01
      5   0.187262D+02  0.695536D+01 -0.907518D+01 -0.707733D+01  0.206086D+02
      6  -0.254557D+01 -0.376306D+01  0.306567D+01  0.730761D+01 -0.277610D+01
                71            72            73            74            75 
      1   0.115540D+01  0.357361D+01  0.538728D+00  0.266867D+00  0.895001D-03
      2  -0.103400D+01 -0.142817D+02 -0.449489D+01  0.433551D+00 -0.304324D+00
      3  -0.121408D+00  0.107081D+02  0.395617D+01 -0.700418D+00  0.303429D+00
      4  -0.118207D+02 -0.102619D+02  0.862584D-01  0.140426D+01 -0.666149D+00
      5  -0.879999D+01 -0.270529D+02  0.785259D-01  0.729485D-01  0.608241D+01
      6   0.673236D+01  0.466600D+01 -0.410636D+00  0.285869D-01 -0.505305D-01
                76            77            78            79            80 
      1   0.100733D+01 -0.381042D+01 -0.117893D+01  0.740523D+00  0.395547D+00
      2   0.334772D+00  0.124735D+00 -0.172019D+01 -0.128452D+00 -0.240284D+01
      3  -0.134210D+01  0.368569D+01  0.289911D+01 -0.612071D+00  0.200729D+01
      4   0.238779D+01 -0.154266D+00  0.741272D-01 -0.384902D+00  0.310115D+00
      5   0.874324D-01 -0.239902D+00 -0.255400D+00  0.518913D+01  0.266588D+00
      6   0.152808D+00  0.450136D+00  0.650047D+01  0.540746D-01  0.485404D+01
                81            82            83            84            85 
      1  -0.203365D+02 -0.102762D+01 -0.376843D+01 -0.216018D+01 -0.553813D+01
      2  -0.170951D+02  0.486127D+01  0.515341D+01  0.195597D+01  0.649031D+01
      3   0.374316D+02 -0.383365D+01 -0.138498D+01  0.204209D+00 -0.952172D+00
      4   0.687576D+00  0.899222D+00  0.409174D+01  0.901065D+00  0.261817D+01
      5   0.156844D+01 -0.131633D+01  0.654743D+00  0.123837D+01  0.109884D+01
      6  -0.316681D+01  0.142371D+01  0.109560D+01  0.778214D+00  0.853726D+00
                86            87            88            89            90 
      1  -0.203645D+02 -0.155246D+01 -0.330787D+01 -0.259859D+01 -0.439924D+01
      2   0.337034D+02  0.429311D+01  0.217881D+01  0.337773D+01  0.306068D+01
      3  -0.133389D+02 -0.274065D+01  0.112905D+01 -0.779136D+00  0.133856D+01
      4  -0.930518D+01 -0.171727D+01  0.434173D+00 -0.156587D+01 -0.108120D+01
      5  -0.166027D+01 -0.281597D+01  0.232080D+01 -0.165507D+01  0.691355D+00
      6   0.585698D+01  0.556108D+01  0.157863D+01  0.765518D+01  0.282982D+01
                91            92            93            94            95 
      1   0.354377D+02  0.147872D+02 -0.258318D+01  0.575384D+01  0.475598D+01
      2  -0.125351D+02 -0.290059D+01  0.280625D+00  0.103563D+01  0.233914D+01
      3  -0.229026D+02 -0.118866D+02  0.230255D+01 -0.678947D+01 -0.709512D+01
      4   0.278669D+02  0.189752D+02 -0.133327D+01  0.125810D+02  0.121663D+02
      5   0.182071D+01  0.127006D+01  0.473646D+01  0.304244D+00  0.526549D+00
      6  -0.120227D+01  0.123082D+00  0.239674D+01  0.241518D+00  0.141720D+00
                96            97            98            99           100 
      1  -0.450325D+00 -0.980220D+01 -0.454496D+01  0.324657D+01 -0.233932D+01
      2  -0.338342D+00  0.303523D+01  0.227699D+00 -0.139432D+01  0.547412D+01
      3   0.788667D+00  0.676697D+01  0.431726D+01 -0.185225D+01 -0.313480D+01
      4  -0.798899D+00 -0.930414D+01 -0.691044D+01  0.428189D+01 -0.578476D+01
      5   0.170358D+01  0.546805D+01  0.286080D+01 -0.202817D+01  0.303467D+01
      6   0.174510D+01  0.337729D+01  0.259488D+01 -0.162920D+01 -0.615111D+01
               101           102           103           104           105 
      1   0.811841D+01 -0.376207D+01  0.615570D+01 -0.148043D+02  0.637611D+01
      2  -0.127038D+02  0.449836D+01 -0.989080D+01  0.233960D+02 -0.875011D+01
      3   0.458539D+01 -0.736286D+00  0.373510D+01 -0.859171D+01  0.237400D+01
      4   0.103671D+02 -0.503994D+01  0.892405D+01 -0.103713D+02  0.482121D+01
      5  -0.329358D+01  0.386447D+01 -0.197871D+01  0.341440D+01 -0.188889D+01
      6   0.933385D+01 -0.787658D+01  0.708769D+01 -0.141458D+02  0.102605D+02
               106           107           108           109           110 
      1  -0.478195D+01  0.948023D+01 -0.848120D+01 -0.105154D+01  0.258914D+01
      2   0.506444D+01 -0.108337D+02  0.628751D+01  0.162653D+01 -0.393280D+01
      3  -0.282488D+00  0.135351D+01  0.219369D+01 -0.574992D+00  0.134366D+01
      4  -0.598393D+01  0.629071D+01 -0.587498D+01  0.216861D+00  0.350312D+01
      5   0.349236D+01 -0.307543D+01  0.323474D+01 -0.130271D+01 -0.381485D+00
      6  -0.783969D+01  0.142608D+02 -0.122937D+02  0.866805D+00 -0.221272D+01
               111           112           113           114           115 
      1   0.138953D+01  0.133727D+01 -0.474429D+01 -0.305590D+01  0.870762D+00
      2  -0.210422D+01 -0.194329D+01  0.708501D+01  0.444961D+01 -0.184684D+01
      3   0.714694D+00  0.606024D+00 -0.234072D+01 -0.139370D+01  0.976073D+00
      4   0.609967D+00  0.374243D+01 -0.218023D+01 -0.177405D+01  0.366990D+01
      5   0.163117D+01 -0.210887D+00 -0.288808D+00 -0.338641D+00  0.604210D+00
      6  -0.408123D+01 -0.210250D+01  0.433715D+01  0.769928D+01 -0.436083D+01
               116           117           118           119           120 
      1  -0.700223D+01 -0.679081D+01  0.359476D+01  0.310467D+01  0.180696D+01
      2   0.966054D+01  0.443104D+01 -0.367871D+01 -0.267308D+01 -0.310581D+01
      3  -0.265832D+01  0.235977D+01  0.839470D-01 -0.431597D+00  0.129886D+01
      4  -0.221086D+01 -0.389408D+01  0.505911D+01  0.817384D+01  0.185420D+01
      5  -0.996710D+00 -0.875199D-01  0.706439D+01  0.503242D+01  0.802910D+01
      6   0.801510D+01  0.177929D+02  0.291422D+01  0.669984D+01  0.254040D+01
               121           122           123           124           125 
      1   0.444396D+01 -0.211621D+01 -0.393864D+01  0.703598D+00 -0.238118D+01
      2  -0.395532D+01  0.129912D+01 -0.539382D+01 -0.168074D+01 -0.286194D+01
      3  -0.488644D+00  0.817088D+00  0.933246D+01  0.977142D+00  0.524312D+01
      4   0.822412D+01  0.158953D+02  0.725690D+01  0.117090D+01  0.451469D+01
      5   0.793119D+01  0.117037D+02  0.100313D+02  0.568676D+01  0.563835D+01
      6   0.718261D+01  0.193512D+02  0.106271D+02  0.255909D+01  0.950266D+01
               126           127           128           129           130 
      1  -0.300850D+01 -0.968952D+01 -0.394509D+01  0.138695D+02 -0.308075D+01
      2  -0.227490D+01 -0.947195D+00  0.144813D+01  0.378945D+01  0.158195D+01
      3   0.528340D+01  0.106367D+02  0.249696D+01 -0.176589D+02  0.149881D+01
      4   0.422047D+01  0.452326D+01  0.293889D+01 -0.323971D+01  0.375608D+01
      5   0.510949D+01 -0.135544D+02 -0.284548D+01  0.628558D+01 -0.277747D+01
      6   0.576156D+01 -0.568067D+01 -0.459764D+01  0.567623D+01 -0.292703D+01
               131           132           133           134           135 
      1  -0.353144D+01  0.301443D+01  0.104595D+02  0.274504D+01 -0.133140D+02
      2   0.891575D+00 -0.520659D+00  0.245348D+01 -0.266534D+00 -0.563268D+01
      3   0.263987D+01 -0.249377D+01 -0.129130D+02 -0.247851D+01  0.189467D+02
      4   0.127325D+01  0.807698D+00 -0.226570D+01  0.319670D+00  0.185866D+01
      5   0.448875D+00  0.248253D+00  0.818339D+01  0.926123D+00 -0.548038D+01
      6  -0.263706D+01  0.661692D+01  0.360525D+01  0.579366D+01 -0.522250D+01
               136           137           138           139           140 
      1   0.118570D+02 -0.453706D+01  0.299492D+01 -0.508210D+01 -0.150260D+01
      2  -0.900879D+01  0.153946D+01 -0.689981D+01  0.156431D+01  0.419936D+01
      3  -0.284820D+01  0.299760D+01  0.390489D+01  0.351779D+01 -0.269677D+01
      4  -0.146615D+02  0.136607D+02 -0.841944D+01  0.148087D+02 -0.155802D+02
      5   0.204864D+02 -0.119940D+02  0.176384D+02 -0.134751D+02  0.140950D+02
      6  -0.112073D+02  0.113536D+02 -0.867649D+01  0.114949D+02 -0.155824D+02
               141           142           143           144           145 
      1   0.325965D+01  0.203431D+01  0.243998D+01 -0.250780D+01  0.738961D+00
      2   0.215747D+01 -0.525337D+01  0.189667D+01 -0.577951D+01 -0.263909D+01
      3  -0.541713D+01  0.321907D+01 -0.433665D+01  0.828731D+01  0.190013D+01
      4   0.991224D+01 -0.553623D+01  0.620210D+01 -0.770196D+01 -0.201633D+01
      5  -0.127057D+02  0.133981D+02 -0.881718D+01  0.133819D+02 -0.323507D+01
      6   0.138915D+02 -0.670823D+01  0.102562D+02 -0.104221D+02  0.159328D+01
               146           147           148           149           150 
      1  -0.235485D+01 -0.511120D+01 -0.339945D+01 -0.218893D+00 -0.332489D+01
      2   0.100133D+01  0.259842D+01  0.149725D+01 -0.671141D+00 -0.387870D-01
      3   0.135352D+01  0.251277D+01  0.190220D+01  0.890035D+00  0.336368D+01
      4   0.301075D+01  0.736785D+00  0.560740D+01 -0.183574D+01 -0.548082D+01
      5   0.694625D+00  0.591040D+01  0.198270D+01 -0.514460D+01 -0.626120D+01
      6   0.126138D+00  0.575074D+00 -0.160050D+01  0.348094D+01  0.841815D+01
               151           152           153           154           155 
      1  -0.678057D+01 -0.312042D+01 -0.158408D+02  0.127967D+02  0.863467D+01
      2   0.737675D+01 -0.284890D+00 -0.190287D+02 -0.366573D+01 -0.334347D+01
      3  -0.596185D+00  0.340531D+01  0.348696D+02 -0.913100D+01 -0.529121D+01
      4   0.202809D+01 -0.627246D+01 -0.665310D+01  0.916475D+01  0.144565D+02
      5   0.146496D+02 -0.616518D+01 -0.459372D+02  0.142990D+00 -0.166762D+01
      6  -0.254309D+01  0.843775D+01  0.131514D+02 -0.184296D+01 -0.262638D+01
               156           157           158           159           160 
      1   0.175014D+01  0.170326D+02  0.110282D+02 -0.105767D+01  0.561331D+01
      2  -0.523548D+00 -0.721754D+01  0.170879D+01  0.163781D+01 -0.193465D+01
      3  -0.122659D+01 -0.981505D+01 -0.127370D+02 -0.580140D+00 -0.367866D+01
      4  -0.560092D+00  0.172150D+02  0.318076D+02  0.327159D+00  0.213097D+00
      5   0.252896D+01 -0.413175D+01 -0.267981D+00  0.748216D+01  0.360227D+01
      6   0.725859D+00 -0.246220D+01 -0.736802D+01  0.229007D+01  0.104428D+01
               161           162           163           164           165 
      1   0.283905D+00 -0.166127D+00  0.480030D+02 -0.180528D+02  0.775236D+01
      2   0.335765D+00 -0.156518D+01 -0.182528D+02  0.437592D+01 -0.256552D+01
      3  -0.619670D+00  0.173131D+01 -0.297502D+02  0.136768D+02 -0.518685D+01
      4   0.275771D+01  0.347379D+01 -0.265261D+02  0.201969D+02 -0.405262D+01
      5   0.408150D+01 -0.252063D+01  0.356942D+01 -0.156567D+01  0.781649D+01
      6   0.278683D+01  0.840742D+00  0.108428D+01 -0.186930D+01 -0.146954D+01
               166           167           168           169           170 
      1  -0.244153D+02  0.142441D+02 -0.271939D+01  0.169309D+02 -0.501811D+01
      2   0.627327D+01  0.139832D+01 -0.101729D+01 -0.647009D+01 -0.162179D-01
      3   0.181420D+02 -0.156424D+02  0.373668D+01 -0.104608D+02  0.503433D+01
      4   0.257989D+02 -0.210215D+02  0.453679D+01 -0.889809D+01  0.789138D+01
      5  -0.773684D+00  0.252198D+01 -0.770365D+01  0.850511D+01 -0.581582D+01
      6  -0.166105D+01  0.506630D+00  0.294213D+01 -0.201782D+01  0.224029D+01
               171 
      1   0.440751D+01
      2  -0.318789D+01
      3  -0.121962D+01
      4  -0.654461D+01
      5   0.386088D+01
      6  -0.948739D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524544D+00      0.133326D+01      0.444727D+01
   x         -0.109423D+00     -0.278125D+00     -0.927727D+00
   y         -0.400662D+00     -0.101838D+01     -0.339695D+01
   z         -0.320379D+00     -0.814323D+00     -0.271629D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746455D+02      0.110613D+02      0.123074D+02
   aniso      0.120987D+02      0.179284D+01      0.199481D+01
   xx         0.817942D+02      0.121206D+02      0.134860D+02
   yx         0.244032D-01      0.361618D-02      0.402354D-02
   yy         0.723062D+02      0.107147D+02      0.119217D+02
   zx        -0.239604D+01     -0.355056D+00     -0.395053D+00
   zy         0.178837D+01      0.265008D+00      0.294862D+00
   zz         0.698362D+02      0.103487D+02      0.115144D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.803727D+02      0.119100D+02      0.132517D+02
   aniso      0.132706D+02      0.196650D+01      0.218803D+01
   xx         0.882314D+02      0.130745D+02      0.145474D+02
   yx         0.101525D+00      0.150445D-01      0.167393D-01
   yy         0.777100D+02      0.115154D+02      0.128126D+02
   zx        -0.270751D+01     -0.401211D+00     -0.446407D+00
   zy         0.185427D+01      0.274774D+00      0.305727D+00
   zz         0.751767D+02      0.111400D+02      0.123950D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          4.75026756         -0.15711797          0.31957025
     6          2.06418631          0.89413164          0.39051010
     6          0.11826952         -1.28759041          0.16235884
     6         -2.51772105         -0.30220051          0.77124117
     8         -2.79069695          0.24622394          3.25369674
     6          1.67001352          2.90368611         -1.64793261
     7          0.25115471         -2.51757682         -2.28856770
     8         -4.19161699          0.00838864         -0.73831367
     1          0.59189640         -2.67339358          1.61746430
     1          1.75053970          1.76689693          2.23637957
     1         -4.48525778          0.90975516          3.47799657
     1         -0.59378164         -4.23279565         -2.21981709
     1         -0.72782771         -1.49413257         -3.57957482
     1          2.03779575          2.12856072         -3.52402665
     1         -0.24790244          3.66383769         -1.63142045
     1          2.97318834          4.47510241         -1.35961371
     1          5.07458207         -1.48308483          1.86776534
     1          5.08910123         -1.14870337         -1.45391453
     1          6.12800392          1.36863401          0.49120195

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524544D+00      0.133326D+01      0.444727D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.524544D+00      0.133326D+01      0.444727D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746455D+02      0.110613D+02      0.123074D+02
   aniso      0.120987D+02      0.179284D+01      0.199481D+01
   xx         0.822227D+02      0.121842D+02      0.135567D+02
   yx        -0.337069D+00     -0.499485D-01     -0.555752D-01
   yy         0.688503D+02      0.102026D+02      0.113519D+02
   zx        -0.545479D+00     -0.808316D-01     -0.899373D-01
   zy         0.113777D+01      0.168600D+00      0.187592D+00
   zz         0.728635D+02      0.107973D+02      0.120136D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.803727D+02      0.119100D+02      0.132517D+02
   aniso      0.132706D+02      0.196650D+01      0.218803D+01
   xx         0.887164D+02      0.131464D+02      0.146274D+02
   yx        -0.497405D+00     -0.737078D-01     -0.820109D-01
   yy         0.741063D+02      0.109814D+02      0.122185D+02
   zx        -0.632985D+00     -0.937986D-01     -0.104365D+00
   zy         0.120607D+01      0.178721D+00      0.198854D+00
   zz         0.782953D+02      0.116022D+02      0.129092D+02

 ----------------------------------------------------------------------
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 K N O W I N G  IS A BARRIER WHICH PREVENTS LEARNING

                     -- TEACHING OF THE BENE GESSERIT
 Job cpu time:       0 days  5 hours 48 minutes 45.9 seconds.
 Elapsed time:       0 days  0 hours 43 minutes 41.2 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:41:52 2021.
